NP-MRD: Showing NP-Card for Ursolic acid (NP0048287)

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Record Information

Version

2.0

Created at

2022-03-17 20:54:04 UTC

Updated at

2022-03-17 20:54:04 UTC

NP-MRD ID

NP0048287

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Ursolic acid

Description

Ursolic acid, also known as ursolate, belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. Ursolic acid is found in Acanthopanax sessiliflorus, Acer triflorum, Achyranthes aspera , Achyrocline bogotensis (HBK.) DC., Acridocarpus vivy, Actinidia chinensis, Actinidia polygama, Aganosma caryophyllata, Agrimonia pilosa, Ajuga chamaepitys, Alchemilla xanthochlora, Alhagi persarum, Alibertia edulis, Alibertia macrophylla, Cordiera sessilis, Almeidea coerulea, Alysicarpus monilifer, Amsonia tomentosa, Anaphalis margaritacea, Anaphalis sinica, Anoectochilus roxburghii, Anredera cordifolia, Antennaria dioica, Anthotroche blackii, Aralia decaisneana, Arbutus andrachne L. , Arctostaphylos columbiana, Arctostaphylos uva-ursi , Artocarpus integer, Asclepias syriaca, Baccharis coridifolia, Baccharis dracunculifolia, Baccharis tricuneata, Backhousia angustifolia, Bacopa monnieri, Baeckea frutescens, Banisteriopsis caapi, Betula alnoides, Bischofia javanica, Boschniakia himalaica, Bruguiera gymnorhiza, Brunfelsia grandiflora, Bursera cuneata, Bursera penicillata, Clinopodium ashei, Calceolaria pinifolia, Callicarpa arborea , Callicarpa formosana , Callicarpa macrophylla , Callicarpa pedunculata, Callicarpa pentandra, Callistemon citrinus, Calluna vulgaris, Calophyllum polyanthum, Camellia sinensis, Campanula patula, Campanula persicifolia, Campsis grandiflora, Camptotheca acuminata, Hyptis spicigera, Cantinoa mutabilis, Capparis spinosa, Carapa guianensis, Carissa carandas , Catharanthus roseus , Catharanthus trichophyllus, Cecropia pachystachya, Cedronella canariensis, Celtis philippinensis, Centella asiatica , Cercocarpus montanus, Cetraria islandica, Chaenomeles japonica , Chaenomeles sinensis , Chaenomeles speciosa, Chamaedaphne calyculata, Chenopodium quinoa, Chiococca alba , Citrus trifoliata, Cladonia arbuscula, Cladophora vagabunda, Clematoclethra scandens, Clerodendranthus spicatus, Clerodendrum japonicum, Clinopodium chilense, Clinopodium chinense, Clinopodium douglasii, Clinopodium umbrosum, Clusia columnaris, Coccoloba excoriata, Coleus aromaticus , Conandron ramondioides, Conandron ramondioides Sieb.et Zucc. , Condea albida, Condea verticillata, Coriaria intermedia, Coriaria nepalensis, Coriaria ruscifolia, Cornus kousa, Cornus mas, Cornus officinalis , Cotoneaster simonsii, Couepia ulei, Cousinia canescens, Coussarea paniculata, Craibiodendron yunnanense, Crataegus cuneata , Crataegus hupehensis, Crataegus pinnatifida , Crataegus pinnatifida var.major , Crataegus sinaica, Crepis capillaris, Croton bonplandianus, Cryptostegia grandiflora, Cunila lythrifolia, Cuphea carthagenensis, Cuphea wrightii, Cussonia bancoensis, Cyclolepis genistoides, Cydonia oblonga, Cynara humilis, Cynomorium songaricum, Cyphanthera spinescens, Dissochaeta beccariana, Decaneuropsis cumingiana, Desfontainia spinosa, Dialium excelsum, Diospyros blancoi, Diospyros castanea, Diospyros cauliflora, Diospyros crassiflora, Diospyros curranii, Diospyros dendo, Diospyros ebenum , Diospyros evena, Diospyros ferrea, Diospyros hirsuta, Diospyros kaki , Diospyros leucomelas, Diospyros lotus , Diospyros malanonilau, Diospyros melanoxylon , Diospyros montana , Diospyros morrisiana, Diospyros quaesita, Diospyros tomentosa , Dipsacus laciniatus, Discaria chacaye, Dracocephalum kotschyi , Dryopteris crassirhizoma, Duboisia myoporoides, Inula cappa , Duranta erecta, Eclipta alba, Eclipta prostrata, Ehretia buxifolia , Acanthopanax senticosus , Eleutherococcus sessiliflorus, Elliottia paniculata, Elsholtzia ciliata, Empetrum nigrum, Englerophytum magalismontanum, Enkianthus campanulatus, Enkianthus cernuus, Epigaea asiatica, Equisetum arvense, Erica andevalensis, Tabernaemontana divaricata, Erythrina arborescens, Erythrina crista-galli, Eucalyptus camaldulensis, Eucalyptus camaldulensis var.obtusa , Eucalyptus citriodora , Eucalyptus cladocalyx, Eucalyptus globulus, Eucalyptus perriniana, Eucalyptus robusta, Eucalyptus saligna, Eucalyptus tereticornis , Eucommia ulmoides , Euphorbia paralias, Evolvulus nummularius, Fagonia indica, Heterophragma adenophyllum, Ficus microcarpa , Ficus mucuso, Ficus pandurata, Ficus pumila, Ficus sarmentosa, Forsythia suspensa , Forsythia viridissima, Fridericia triplinervia, Frullania tamarisci, Galeana pratensis, Gardenia jasminoides , Gardenia saxatilis, Gelsemium sempervirens, Gentiana asclepiadea, Gentiana dahurica, Gentiana macrophylla, Gentiana pedicellata, Gentiana tibetica, Gentianella florida, Gentianopsis paludosa, Geum japonicum, Geum rivale, Geum rupestre, Gladiolus italicus, Glechoma hederacea, Glechoma lungituba, Gnetum montanum, Godmania aesculifolia, Gonocaryum calleryanum , Gustavia hexapetala, Haloxylon salicornicum, Hedyotis dichotoma, Hedyotis herbacea, Hedyotis lawsoniae, Hedysarum sikkimense, Helicteres angustifolia, Heracleum granatense, Hex aquifolium, Hintonia latiflora, Hippophae rhamnoides, Holarrhena pubescens, Hoslundia opposita, Hunteria umbellata, Hydrangea heteromalla, Hymenodictyon excelsum, Hypotrachyna neodamaziana, Hyptis brevipes , Hyptis capitata, Mesosphaerum suaveolens, Mesosphaerum urticoides, Hyssopus seravschanicus, Ilex affinis, Ilex aquifolium, Ilex asprella, Ilex brevicuspis, Ilex cornuta , Ilex dumosa, Ilex integra, Ilex latifolia, Ilex macropoda, Ilex paraguariensis, Ilex pubescens , Ilex rotunda, Incarvillea arguta, Incarvillea delavayi, Indigofera tetrantha, Inula japonica, Isatis tinctoria , Isertia haenkeana, Isodon coetsa, Isodon eriocalyx, Isodon excisus, Isodon glutinosus, Isodon grandifolius, Isodon japonicus, Isodon loxothyrsus, Isodon nervosus, Isodon oresbia, Isodon oresbius, Isodon phyllostachys, Rabdosia rubescens , Isodon sculponeatus, Isodon serra, Isodon ternifolius, Isodon wikstroemioides, Isodon yuennanensis, Ixeridium gracile, Ixeris japonica, Ixora coccinea, Jacaranda copaia, Jacaranda decurrens, Jasminum grandiflorum, Juglans regia, Lagerstroemia speciosa, Lagochilus leiacanthus, Lancea tibetica, Lantana camara, Lantana indica, Lantana ukambensis, Lasianthus gardneri, Lavandula angustifolia, Lavandula canariensis, Lavandula gibsonii, Lavandula multifida, Lawsonia inermis , Leandra lacunosa, Lecanthus peduncularis, Lepechinia caulescens, Lepechinia meyenii, Leptospermum scoparium , Leucosceptrum stellipilum, Leucothoe grayana Max., Leucothoe keiskei, Licania pyrifolia, Ligularia dolichobotrys, Ligularia macrophylla, Ligularia sagitta, Ligustrum lucidum , Ligustrum obtusifolium, Liriope muscari , Lonicera angustifolia, Lotus creticus, Ludwigia octovalvis , Lycopus asper, Lydenburgia cassinoides, Lyonia ovalifolia, Lythrum salicaria, Dolichandra unguis-cati, Mallotus peltatus, Mallotus repandus, Malus doumeri varl formosana, Malus spp. , Mandevilla martiana, Maquira coriacea, Marsypianthes chamaedrys , Melaleuca ericifolia, Melaleuca leucadendra, Melaleuca leucadendron , Melia azedarach, Mentha longifolia, Meriandra benghalensis , Mesosphaerum pectinatum, Miconia fallax, Microtropis japonica, Mimusops elengi, Mirabilis himalaica, Mirabilis jalapa, Mitragyna speciosa, Mitragyna stipulosa , Monochaetum vulcanicum, Licania tomentosa, Myrica rubra , Morinda citrifolia , Morinda citrifolia L. , Morinda officinalis , Morinda tinctoria var.tomentosa. , Morus alba, Morus australis , Morus insignis, Mosla dianthera, Mosla scabra, Musanga cecropioides, Mutisia friesiana, Myrcia guianensis, Myrianthus arboreus , Myrica gale, Myrtus communis, Nardostachys jatamansi, Neolamarckia cadamba, Nepeta juncea, Nepeta tuberosa, Nerium oleander , Nernstia mexicana, Nierembergia aristata, Nierembergia linariifolia, Nothofagus pumilio, Nuxia sphaerocephala , Ocimum tenuiflorum, Oldenlandia corymbosa, Oldenlandia diffusa , Oldenlandia herbacea, Ophiorrhiza liukiuensis, Origanum compactum, Origanum dictamnus, Orthosiphon stamineus , Oryza coarctata, Osbeckia chinensis, Osmanthus fortunei, Osmanthus fragrans, Osyris alba, Oxyceros horridus, Palicourea coriacea, Panzerina lanata, Patrinia rupestris, Paulownia tomentosa, Pectenia plumbea, Pedalium murex, Perilla frutescens, Perilla frutescens (L.) Britton var.japonica Hara , Periploca graeca, Cryptolepis nigrescens, Petasites tricholobus , Phellinus pomaceus, Fuscoporia torulosa, Phillyrea latifolia L. , Photinia serratifolia, Photinia serrulata, Phryma leptostachya, Picramnia sellowii, Picris hieracioides, Pieris japonica, Pieris japonica D.Don. , Pimpinella major, Pinus roxburghii , Planchonella duclitan, Plantago asiatica , Plantago depressa , Plantago major , Platycarya strobilacea, Plectranthus fruticosus, Plectranthus ornatus, Plocama calabrica, Plumeria obtusa , Plumeria rubra, Polyscias bracteata, Potentilla chinensis , Pourouma guianensis, Pouteria torta, Prosopis glandulosa, Prostanthera melissifolia, Prunella vulgaris , Prunus africana, Prunus cerasoides, Prunus dulcis, Prunus serotina , Prunus zippeliana, Psidium cattleyanum, Psychotria serpens, Punica granatum LINN. , Pyracantha coccinea, Pyrola americana, Pyrola incarnata, Pyrola japonica , Pyrola rugosa, Pyrus spp., Quercus leucotrichophora, Quercus macrocarpa, Rabdosia amethystoides, Ramalina hierrensis, Retanilla trinervia, Eriobotrya japonica , Rhododendron anthopogon, Rhododendron barbatum, Rhododendron brachycarpum, Rhododendron dauricum, Rhododendron ferrugineum, Rhododendron formosanum, Rhododendron hymenanthus, Rhododendron latoucheae, Rhododendron parvifolium, Rhododendron spinuliferum, Rosa chinensis, Rosa davurica, Rosa laevigata, Rosa rugosa, Rosa taiwanensis, Rosa transmorrisonensis, Roscoea purpurea, Rubia wallichiana , Rubia wallichiana DECNE , Rubia yunnanensis, Rubus crataegifolius, Rubus ellipticus , Rubus idaeus, Rubus parvifolius, Rubus pinfaensis, Rubus ulmifolius, Rudgea jasminoides, Salacia chinensis, Salvia africana, Salvia aurea, Salvia albimaculata, Salvia amplexicaulis, Salvia amplexicaulis Lam., Salvia apiana, Salvia argentea, Salvia blepharophylla, Salvia breviflora, Salvia caespitosa, Salvia canariensis, Salvia canariensis L., Salvia candelabrum, Salvia candicans, Salvia ceratophylla, Salvia chinopeplica, Salvia chionopeplica, Salvia deserta, Salvia dianthera, Salvia divaricata, Salvia farinacea, Salvia glutinosa, Salvia greggii, Salvia hierosolymitana, Salvia karwinskii, Salvia lanigera, Salvia lavanduloides, Salvia leucantha, Salvia limbata, Salvia melissodora, Salvia mellifera, Salvia microphylla, Salvia miltiorrhiza , Salvia montbretii, Salvia nemorosa, Salvia nicolsoniana, Salvia palaestina, Salvia przewalskii, Salvia regla, Salvia reptans, Salvia rhyacophila, Salvia sclareoides, Salvia syriaca, Salvia syriaca L., Salvia thymoides, Salvia tomentosa, Salvia verticillata, Salvia virgata, Salvia wagneriana, Salvia xalapensis, Salzmannia nitida, Sambucus adnata, Sambucus chinensis, Sarcopoterium spinosum, Satureja acinos, Satureja calamintha, Satureja cuneifolia, Scapholeberis mucronata, Scutellaria lateriflora, Scutellaria strigillosa, Shorea robusta, Sideritis candicans var.eriocephala, Sideritis dendro-chahorra, Sideritis discolor, Sideritis soluta, Sinacalia tangutica, Smallanthus maculatus, Solanum incanum, Solidago canadensis, Sorbus aucuparia, Spathodea campanulata, Spermacoce pusilla, Stereocaulon azoreum, Stereospermum acuminatissimum, Sticta caulescens, Stizophyllum riparium, Strychnos spinosa, Strychnos vanprukii Craib., Styrax camporum, Styrax ferrugineus, Swertia chirayita, Swertia corymbosa, Swertia petiolata, Swertia thomsonii, Symphoricarpos albus, Symphyotrichum subulatum, Symplocos lancifolia, Symplocos paniculata, Syringa reticulata, Syringa vulgaris, Syzygium buxifolium, Syzygium formosanum, Syzygium nervosum, Syzygium samarangense, Tadehagi triquetrum, Tamarix gallica, Tanaecium bilabiatum, Taraxacum officinale, Tecoma stans, Tectona grandis, Tephrosia purpurea, Terminalia brachystemma, Terminalia catappa, Terminalia glabrescens, Ternstroemia japonica, Teucrium chamaedrys, Teucrium heterophyllum, Teucrium kotschyanum, Thevetia peruviana, Thymus pubescens, Tripterospermum lanceolatum, Trogopterus xanthipes, Uncaria hirsuta, Uncaria rhynchophylla, Uncaria sinensis, Uncaria tomentosa , Urtica dioica, Vaccinium bracteatum, Vaccinium uliginosum, Valeriana laxiflora, Valeriana officinalis, Vatica cinerea, Verbena litoralis, Verbena littoralis , Viburnum cylindricum, Viburnum dilatatum, Viburnum furcatum, Viburnum jucundum, Viburnum lantana L. , Viburnum odoratissimum, Viburnum opulus, Viburnum rhytidophyllum, Viburnum wrightii, Viscum album, Vismia guianensis, Vitex altissima, Vitex negundo, Vitex peduncularis, Vochysia ferruginea, Wendlandia formosana, Woodfordia fruticosa, Woodwardia radicans, Zenobia pulverulenta, Ziziphora clinopodioides, Ziziphora pamiroalaica, Ziziphora tenuior, Ziziphus jujuba , Ziziphus jujuba var.spinosa and Ziziphus spina-christi. Ursolic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL SDF PDB SMILES InChI


  Mrv1652305221920262D          

 39 43  0  0  1  0            999 V2000
    1.3184   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3627    1.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2812    1.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1171    1.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5059   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6809   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.3020    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5559   -0.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9184    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5059    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2059    1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0309    1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5559    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18  1  1  6  0  0  0
 18 10  1  0  0  0  0
 19  2  1  1  0  0  0
 19 18  1  0  0  0  0
 20  8  2  0  0  0  0
 21 11  1  0  0  0  0
 22  9  1  0  0  0  0
 23 12  1  0  0  0  0
 24 19  1  0  0  0  0
 24 20  1  0  0  0  0
 26  3  1  0  0  0  0
 26  4  1  0  0  0  0
 26 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27  5  1  1  0  0  0
 27 13  1  0  0  0  0
 27 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28  6  1  6  0  0  0
 28 16  1  0  0  0  0
 28 20  1  0  0  0  0
 29  7  1  1  0  0  0
 29 14  1  0  0  0  0
 29 22  1  0  0  0  0
 29 28  1  0  0  0  0
 30 15  1  0  0  0  0
 30 17  1  0  0  0  0
 30 24  1  0  0  0  0
 30 25  1  1  0  0  0
 23 31  1  1  0  0  0
 32 25  2  0  0  0  0
 33 25  1  0  0  0  0
 18 34  1  1  0  0  0
 19 35  1  6  0  0  0
 36 21  1  0  0  0  0
 22 37  1  6  0  0  0
 23 38  1  6  0  0  0
 24 39  1  1  0  0  0
M  END


  Mrv1652305221920262D          

 39 43  0  0  1  0            999 V2000
    1.3184   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684   -1.0164    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3627    1.9394    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2812    1.4091    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8559   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1171    1.9475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2059   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0309   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5059   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6809   -0.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7934    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9684    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -0.3020    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5559   -0.3020    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7934    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6809    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4434    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.9184    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9684    0.4125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434    1.8414    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5059    1.1270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2684    0.4125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.2059    1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.0309    1.1270    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.5559    1.1270    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.7434    0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559    2.5559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3184    1.8414    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.0164    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809   -0.3020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0934    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6184    0.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3309    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3809    1.1270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  9  8  1  0  0  0  0
 13 12  1  0  0  0  0
 14 11  1  0  0  0  0
 15 10  1  0  0  0  0
 17 16  1  0  0  0  0
 18  1  1  6  0  0  0
 18 10  1  0  0  0  0
 19  2  1  1  0  0  0
 19 18  1  0  0  0  0
 20  8  2  0  0  0  0
 21 11  1  0  0  0  0
 22  9  1  0  0  0  0
 23 12  1  0  0  0  0
 24 19  1  0  0  0  0
 24 20  1  0  0  0  0
 26  3  1  0  0  0  0
 26  4  1  0  0  0  0
 26 21  1  0  0  0  0
 26 23  1  0  0  0  0
 27  5  1  1  0  0  0
 27 13  1  0  0  0  0
 27 21  1  0  0  0  0
 27 22  1  0  0  0  0
 28  6  1  6  0  0  0
 28 16  1  0  0  0  0
 28 20  1  0  0  0  0
 29  7  1  1  0  0  0
 29 14  1  0  0  0  0
 29 22  1  0  0  0  0
 29 28  1  0  0  0  0
 30 15  1  0  0  0  0
 30 17  1  0  0  0  0
 30 24  1  0  0  0  0
 30 25  1  1  0  0  0
 23 31  1  1  0  0  0
 32 25  2  0  0  0  0
 33 25  1  0  0  0  0
 18 34  1  1  0  0  0
 19 35  1  6  0  0  0
 36 21  1  0  0  0  0
 22 37  1  6  0  0  0
 23 38  1  6  0  0  0
 24 39  1  1  0  0  0
M  END
> <DATABASE_ID>
NP0048287

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@]4([H])[C@@]5(C)CC[C@]([H])(O)C(C)(C)C5([H])CC[C@@]34C)[C@]2([H])[C@@]1([H])C)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23+,24+,27+,28-,29-,30+/m1/s1

> <INCHI_KEY>
WCGUUGGRBIKTOS-JJWDWEPMSA-N

> <FORMULA>
C30H48O3

> <MOLECULAR_WEIGHT>
456.7003

> <EXACT_MASS>
456.360345402

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
81

> <JCHEM_AVERAGE_POLARIZABILITY>
54.74545694014788

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

> <ALOGPS_LOGP>
6.35

> <JCHEM_LOGP>
6.581805409666667

> <ALOGPS_LOGS>
-5.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
19.489433291560097

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.744126566233528

> <JCHEM_PKA_STRONGEST_BASIC>
-0.8351230225624989

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
133.69799999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.90e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 22-MAY-19   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   22-MAY-19         0                                  
HETATM    1  C   UNK     0       2.461  -1.897   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       5.541  -1.897   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      13.744   3.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      15.458   2.630   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      10.931  -0.564   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.621   3.437   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       9.552   3.635   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       7.851  -0.564   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       9.391  -0.564   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.461   0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      11.701   3.437   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      14.011  -0.564   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      12.471  -0.564   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      10.161   3.437   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       3.231   2.104   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       7.081   3.437   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.541   3.437   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.231  -0.564   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.771  -0.564   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.081   0.770   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      12.471   2.104   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.161   0.770   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      14.781   0.770   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       5.541   0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001   3.437   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      14.011   2.104   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.701   0.770   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.851   2.104   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       9.391   2.104   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.771   2.104   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0      16.321   0.770   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       4.771   4.771   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       2.461   3.437   0.000  0.00  0.00           O+0
HETATM   34  H   UNK     0       4.001  -1.897   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0       6.311  -0.564   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0      13.241   0.770   0.000  0.00  0.00           H+0
HETATM   37  H   UNK     0       8.621   0.770   0.000  0.00  0.00           H+0
HETATM   38  H   UNK     0      15.551   2.104   0.000  0.00  0.00           H+0
HETATM   39  H   UNK     0       6.311   2.104   0.000  0.00  0.00           H+0
CONECT    1   18                                                            
CONECT    2   19                                                            
CONECT    3   26                                                            
CONECT    4   26                                                            
CONECT    5   27                                                            
CONECT    6   28                                                            
CONECT    7   29                                                            
CONECT    8    9   20                                                       
CONECT    9    8   22                                                       
CONECT   10   15   18                                                       
CONECT   11   14   21                                                       
CONECT   12   13   23                                                       
CONECT   13   12   27                                                       
CONECT   14   11   29                                                       
CONECT   15   10   30                                                       
CONECT   16   17   28                                                       
CONECT   17   16   30                                                       
CONECT   18    1   10   19   34                                             
CONECT   19    2   18   24   35                                             
CONECT   20    8   24   28                                                  
CONECT   21   11   26   27   36                                             
CONECT   22    9   27   29   37                                             
CONECT   23   12   26   31   38                                             
CONECT   24   19   20   30   39                                             
CONECT   25   30   32   33                                                  
CONECT   26    3    4   21   23                                             
CONECT   27    5   13   21   22                                             
CONECT   28    6   16   20   29                                             
CONECT   29    7   14   22   28                                             
CONECT   30   15   17   24   25                                             
CONECT   31   23                                                            
CONECT   32   25                                                            
CONECT   33   25                                                            
CONECT   34   18                                                            
CONECT   35   19                                                            
CONECT   36   21                                                            
CONECT   37   22                                                            
CONECT   38   23                                                            
CONECT   39   24                                                            
MASTER        0    0    0    0    0    0    0    0   39    0   86    0
END

View in JSmol

Synonyms

Value	Source
Ursolate	Generator

Chemical Formula

C₃₀H₄₈O₃

Average Mass

456.7003 Da

Monoisotopic Mass

456.36035 Da

IUPAC Name

(1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylic acid

Traditional Name

(1S,2R,4aS,6aS,6bR,10S,12aR,12bR,14bS)-10-hydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,7,8,8a,10,11,12,12b,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid

CAS Registry Number

77-52-1

SMILES

[H][C@@]1(C)CC[C@@]2(CC[C@]3(C)C(=CC[C@]4([H])[C@@]5(C)CC[C@]([H])(O)C(C)(C)C5([H])CC[C@@]34C)[C@]2([H])[C@@]1([H])C)C(O)=O

InChI Identifier

InChI=1S/C30H48O3/c1-18-10-15-30(25(32)33)17-16-28(6)20(24(30)19(18)2)8-9-22-27(5)13-12-23(31)26(3,4)21(27)11-14-29(22,28)7/h8,18-19,21-24,31H,9-17H2,1-7H3,(H,32,33)/t18-,19+,21?,22-,23+,24+,27+,28-,29-,30+/m1/s1

InChI Key

WCGUUGGRBIKTOS-JJWDWEPMSA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Acanthopanax sessiliflorus	Plant	KNApSAcK
Acer triflorum	LOTUS Database	35616633
Achyranthes aspera	Plant	KNApSAcK
Achyrocline bogotensis (HBK.) DC.	Plant	KNApSAcK
Acridocarpus vivy	Plant	KNApSAcK
Actinidia chinensis	LOTUS Database	35616633
Actinidia polygama	LOTUS Database	35616633
Aganosma caryophyllata	-	KNApSAcK
Agrimonia pilosa	LOTUS Database	35616633
Ajuga chamaepitys	LOTUS Database	35616633
Alchemilla xanthochlora	LOTUS Database	35616633
Alhagi persarum	LOTUS Database	35616633
Alibertia edulis	LOTUS Database	35616633
Alibertia macrophylla	LOTUS Database	35616633
Alibertia sessilis	LOTUS Database	35616633
Almeidea coerulea	LOTUS Database	35616633
Alysicarpus monilifer	LOTUS Database	35616633
Amsonia tomentosa	LOTUS Database	35616633
Anaphalis margaritacea	LOTUS Database	35616633
Anaphalis sinica	LOTUS Database	35616633
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anoectochilus roxburghii	LOTUS Database	35616633
Anredera cordifolia	LOTUS Database	35616633
Anser anser	FooDB	FooDB
Antennaria dioica	LOTUS Database	35616633
Anthotroche blackii	LOTUS Database	35616633
Aralia decaisneana	LOTUS Database	35616633
Arbutus andrachne L.	Plant	KNApSAcK
Arctostaphylos columbiana	LOTUS Database	35616633
Arctostaphylos uva-ursi	Plant	KNApSAcK
Artocarpus champeden	LOTUS Database	35616633
Artocarpus heterophyllus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Asclepias syriaca	LOTUS Database	35616633
Averrhoa carambola	FooDB	PHYTOHUB
Baccharis coridifolia	LOTUS Database	35616633
Baccharis dracunculifolia	LOTUS Database	35616633
Baccharis tricuneata	LOTUS Database	35616633
Backhousia angustifolia	LOTUS Database	35616633
Bacopa monnieri	LOTUS Database	35616633
Baeckea frutescens	LOTUS Database	35616633
Banisteriopsis caapi	LOTUS Database	35616633
Betula alnoides	LOTUS Database	35616633
Bischofia javanica	LOTUS Database	35616633
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Boschniakia himalaica	LOTUS Database	35616633
Bruguiera gymnorhiza	LOTUS Database	35616633
Brunfelsia grandiflora	LOTUS Database	35616633
Bubalus bubalis	FooDB	FooDB
Bursera cuneata	LOTUS Database	35616633
Bursera penicillata	LOTUS Database	35616633
Calamintha ashei	LOTUS Database	35616633
Calceolaria pinifolia	LOTUS Database	35616633
Callicarpa arborea	Plant	KNApSAcK
Callicarpa formosana	Plant	KNApSAcK
Callicarpa macrophylla	Plant	KNApSAcK
Callicarpa pedunculata	LOTUS Database	35616633
Callicarpa pentandra	LOTUS Database	35616633
Callistemon citrinus	LOTUS Database	35616633
Calluna vulgaris	LOTUS Database	35616633
Calophyllum polyanthum	Plant	KNApSAcK
Camellia sinensis	LOTUS Database	35616633
Campanula patula	LOTUS Database	35616633
Campanula persicifolia	LOTUS Database	35616633
Campsis grandiflora	LOTUS Database	35616633
Camptotheca acuminata	Plant	KNApSAcK
Cantinoa americana	LOTUS Database	35616633
Cantinoa mutabilis	LOTUS Database	35616633
Capparis spinosa	LOTUS Database	35616633
Capra aegagrus hircus	FooDB	FooDB
Carapa guianensis	LOTUS Database	35616633
Carissa carandas	Plant	KNApSAcK
Catharanthus roseus	Plant	KNApSAcK
Catharanthus trichophyllus	LOTUS Database	35616633
Cecropia pachystachya	LOTUS Database	35616633
Cedronella canariensis	LOTUS Database	35616633
Celtis philippensis	Plant	KNApSAcK
Centella asiatica	Plant	KNApSAcK
Cercocarpus montanus	LOTUS Database	35616633
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Cetraria islandica	LOTUS Database	35616633
Chaenomeles japonica	Plant	KNApSAcK
Chaenomeles sinensis	Plant	KNApSAcK
Chaenomeles speciosa	LOTUS Database	35616633
Chamaedaphne calyculata	LOTUS Database	35616633
Chenopodium quinoa	LOTUS Database	35616633
Chiococca alba	Plant	KNApSAcK
Citrus trifoliata	LOTUS Database	35616633
Cladonia arbuscula	LOTUS Database	35616633
Cladophora vagabunda	LOTUS Database	35616633
Clematoclethra scandens	LOTUS Database	35616633
Clerodendranthus spicatus	-	KNApSAcK
Clerodendrum japonicum	LOTUS Database	35616633
Clinopodium chilense	LOTUS Database	35616633
Clinopodium chinense	LOTUS Database	35616633
Clinopodium douglasii	LOTUS Database	35616633
Clinopodium umbrosum	LOTUS Database	35616633
Clusia columnaris	LOTUS Database	35616633
Coccoloba excoriata	Plant	KNApSAcK
Coleus aromaticus	Plant	KNApSAcK
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Conandron ramondioides	LOTUS Database	35616633
Conandron ramondioides Sieb.et Zucc.	Plant	KNApSAcK
Condea albida	LOTUS Database	35616633
Condea verticillata	LOTUS Database	35616633
Coriaria intermedia	LOTUS Database	35616633
Coriaria nepalensis	LOTUS Database	35616633
Coriaria ruscifolia	LOTUS Database	35616633
Cornus kousa	Plant	KNApSAcK
Cornus mas	LOTUS Database	35616633
Cornus officinalis	Plant	KNApSAcK
Cotoneaster simonsii	Plant	KNApSAcK
Couepia ulei	LOTUS Database	35616633
Cousinia canescens	LOTUS Database	35616633
Coussarea paniculata	Plant	KNApSAcK
Craibiodendron yunnanense	LOTUS Database	35616633
Crataegus cuneata	Plant	KNApSAcK
Crataegus hupehensis	Plant	KNApSAcK
Crataegus pinnatifida	Plant	KNApSAcK
Crataegus pinnatifida var.major	Plant	KNApSAcK
Crataegus sinaica	LOTUS Database	35616633
Crepis capillaris (L.) Wallr.	LOTUS Database	35616633
Croton bonplandianus	LOTUS Database	35616633
Cryptostegia grandiflora	LOTUS Database	35616633
Cunila lythrifolia	LOTUS Database	35616633
Cuphea carthagenensis	LOTUS Database	35616633
Cuphea wrightii	LOTUS Database	35616633
Cussonia bancoensis	Plant	KNApSAcK
Cyclolepis genistoides	LOTUS Database	35616633
Cydonia oblonga	LOTUS Database	35616633
Cynara humilis	LOTUS Database	35616633
Cynomorium songaricum	Plant	KNApSAcK
Cyphanthera spinescens	Plant	KNApSAcK
Dalenia magnibracteata	LOTUS Database	35616633
Decaneuropsis cumingiana	LOTUS Database	35616633
Desfontainia spinosa	LOTUS Database	35616633
Dialium excelsum	LOTUS Database	35616633
Diospyros blancoi	LOTUS Database	35616633
Diospyros castanea	Plant	KNApSAcK
Diospyros cauliflora	Plant	KNApSAcK
Diospyros crassiflora	LOTUS Database	35616633
Diospyros curranii	Plant	KNApSAcK
Diospyros dendo	LOTUS Database	35616633
Diospyros ebenum	Plant	KNApSAcK
Diospyros evena	Plant	KNApSAcK
Diospyros ferrea	Plant	KNApSAcK
Diospyros hirsuta	Plant	KNApSAcK
Diospyros kaki	Plant	KNApSAcK
Diospyros leucomelas	Plant	KNApSAcK
Diospyros lotus	Plant	KNApSAcK
Diospyros malanonilau	Plant	KNApSAcK
Diospyros melanoxylon	Plant	KNApSAcK
Diospyros montana	Plant	KNApSAcK
Diospyros morrisiana	Plant	KNApSAcK
Diospyros quaesita	Plant	KNApSAcK
Diospyros tomentosa	Plant	KNApSAcK
Diospyros virginiana	FooDB	PHYTOHUB
Dipsacus laciniatus	LOTUS Database	35616633
Discaria chacaye	LOTUS Database	35616633
Dracocephalum kotschyi	Plant	KNApSAcK
Dromaius novaehollandiae	FooDB	FooDB
Dryopteris crassirhizoma	Plant	KNApSAcK
Duboisia myoporoides	LOTUS Database	35616633
Duhaldea cappa	Plant	KNApSAcK
Duranta erecta	LOTUS Database	35616633
Eclipta alba	LOTUS Database	35616633
Eclipta prostrata	LOTUS Database	35616633
Ehretia buxifolia	Plant	KNApSAcK
Eleutherococcus senticosus	Plant	KNApSAcK
Eleutherococcus sessiliflorus	LOTUS Database	35616633
Elliottia paniculata	LOTUS Database	35616633
Elsholtzia ciliata	LOTUS Database	35616633
Empetrum nigrum	LOTUS Database	35616633
Englerophytum magalismontanum	LOTUS Database	35616633
Enkianthus campanulatus	LOTUS Database	35616633
Enkianthus cernuus	Plant	KNApSAcK
Epigaea asiatica	Plant	KNApSAcK
Equisetum arvense	LOTUS Database	35616633
Equus caballus	FooDB	FooDB
Erica andevalensis	LOTUS Database	35616633
Eriobotrya japonica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ervatamia coronaria	LOTUS Database	35616633
Erythrina arborescens	LOTUS Database	35616633
Erythrina crista-galli	LOTUS Database	35616633
Eucalyptus camaldulensis	LOTUS Database	35616633
Eucalyptus camaldulensis var.obtusa	Plant	KNApSAcK
Eucalyptus citriodora	Plant	KNApSAcK
Eucalyptus cladocalyx	Plant	KNApSAcK
Eucalyptus globulus	LOTUS Database	35616633
Eucalyptus perriniana	LOTUS Database	35616633
Eucalyptus robusta	LOTUS Database	35616633
Eucalyptus saligna	LOTUS Database	35616633
Eucalyptus tereticornis	Plant	KNApSAcK
Eucommia ulmoides	Plant	KNApSAcK
Euphorbia paralias	Plant	KNApSAcK
Evolvulus nummularius	LOTUS Database	35616633
Fagonia indica	LOTUS Database	35616633
Fernandoa adenophylla	LOTUS Database	35616633
Ficus microcarpa	Plant	KNApSAcK
Ficus mucuso	LOTUS Database	35616633
Ficus pandurata	LOTUS Database	35616633
Ficus pumila	LOTUS Database	35616633
Ficus sarmentosa	LOTUS Database	35616633
Forsythia suspensa	Plant	KNApSAcK
Forsythia viridissima	LOTUS Database	35616633
Fridericia triplinervia	LOTUS Database	35616633
Frullania tamarisci	LOTUS Database	35616633
Galeana pratensis	LOTUS Database	35616633
Gallus gallus	FooDB	FooDB
Gardenia jasminoides	Plant	KNApSAcK
Gardenia saxatilis	LOTUS Database	35616633
Gelsemium sempervirens	LOTUS Database	35616633
Gentiana asclepiadea	LOTUS Database	35616633
Gentiana dahurica	LOTUS Database	35616633
Gentiana macrophylla	LOTUS Database	35616633
Gentiana pedicellata	LOTUS Database	35616633
Gentiana tibetica	LOTUS Database	35616633
Gentianella florida	LOTUS Database	35616633
Gentianopsis paludosa	Plant	KNApSAcK
Geum japonicum	LOTUS Database	35616633
Geum rivale	LOTUS Database	35616633
Geum rupestre	LOTUS Database	35616633
Gladiolus italicus	LOTUS Database	35616633
Glechoma hederacea	LOTUS Database	35616633
Glechoma lungituba	Plant	KNApSAcK
Gnetum montanum	LOTUS Database	35616633
Godmania aesculifolia	LOTUS Database	35616633
Gonocaryum calleryanum	Plant	KNApSAcK
Gustavia hexapetala	LOTUS Database	35616633
Haloxylon salicornicum	LOTUS Database	35616633
Hedyotis dichotoma	Plant	KNApSAcK
Hedyotis herbacea	Plant	KNApSAcK
Hedyotis lawsoniae	LOTUS Database	35616633
Hedysarum sikkimense	LOTUS Database	35616633
Helicteres angustifolia	LOTUS Database	35616633
Heracleum granatense	Plant	KNApSAcK
Hex aquifolium	-	KNApSAcK
Hintonia latiflora	LOTUS Database	35616633
Hippophae rhamnoides	LOTUS Database	35616633
Holarrhena pubescens	LOTUS Database	35616633
Hoslundia opposita	LOTUS Database	35616633
Hunteria umbellata	LOTUS Database	35616633
Hydrangea heteromalla	Plant	KNApSAcK
Hymenodictyon excelsum	LOTUS Database	35616633
Hypotrachyna neodamaziana	LOTUS Database	35616633
Hyptis brevipes	Plant	KNApSAcK
Hyptis capitata	LOTUS Database	35616633
Hyptis suaveolens	LOTUS Database	35616633
Hyptis urticoides	LOTUS Database	35616633
Hyssopus officinalis L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Hyssopus seravschanicus	LOTUS Database	35616633
Ilex affinis	LOTUS Database	35616633
Ilex aquifolium	LOTUS Database	35616633
Ilex asprella	Plant	KNApSAcK
Ilex brevicuspis	LOTUS Database	35616633
Ilex cornuta	Plant	KNApSAcK
Ilex dumosa	LOTUS Database	35616633
Ilex integra	LOTUS Database	35616633
Ilex latifolia	LOTUS Database	35616633
Ilex macropoda	LOTUS Database	35616633
Ilex paraguariensis	LOTUS Database	35616633
Ilex pubescens	Plant	KNApSAcK
Ilex rotunda	LOTUS Database	35616633
Incarvillea arguta	LOTUS Database	35616633
Incarvillea delavayi	LOTUS Database	35616633
Indigofera tetrantha	Plant	KNApSAcK
Inula japonica	LOTUS Database	35616633
Isatis tinctoria	Plant	KNApSAcK
Isertia haenkeana	LOTUS Database	35616633
Isodon coetsa	LOTUS Database	35616633
Isodon eriocalyx	LOTUS Database	35616633
Isodon excisus	LOTUS Database	35616633
Isodon glutinosus	LOTUS Database	35616633
Isodon grandifolius	LOTUS Database	35616633
Isodon japonicus	LOTUS Database	35616633
Isodon loxothyrsus	LOTUS Database	35616633
Isodon nervosus	LOTUS Database	35616633
Isodon oresbia	Plant	KNApSAcK
Isodon oresbius	LOTUS Database	35616633
Isodon phyllostachys	LOTUS Database	35616633
Isodon rubescens	Plant	KNApSAcK
Isodon sculponeatus	LOTUS Database	35616633
Isodon serra	LOTUS Database	35616633
Isodon ternifolius	Plant	KNApSAcK
Isodon wikstroemioides	LOTUS Database	35616633
Isodon yuennanensis	LOTUS Database	35616633
Ixeridium gracile	LOTUS Database	35616633
Ixeris japonica	LOTUS Database	35616633
Ixora coccinea	LOTUS Database	35616633
Jacaranda copaia	LOTUS Database	35616633
Jacaranda decurrens	LOTUS Database	35616633
Jasminum grandiflorum	LOTUS Database	35616633
Juglans regia	LOTUS Database	35616633
Lagerstroemia speciosa	LOTUS Database	35616633
Lagochilus leiacanthus	LOTUS Database	35616633
Lagopus muta	FooDB	FooDB
Lancea tibetica	LOTUS Database	35616633
Lantana camara	LOTUS Database	35616633
Lantana indica	LOTUS Database	35616633
Lantana ukambensis	LOTUS Database	35616633
Lasianthus gardneri	Plant	KNApSAcK
Lavandula angustifolia	LOTUS Database	35616633
Lavandula canariensis	Plant	KNApSAcK
Lavandula gibsonii	Plant	KNApSAcK
Lavandula multifida	LOTUS Database	35616633
Lawsonia inermis	Plant	KNApSAcK
Leandra lacunosa	LOTUS Database	35616633
Lecanthus peduncularis	LOTUS Database	35616633
Lepechinia caulescens	LOTUS Database	35616633
Lepechinia meyenii	LOTUS Database	35616633
Leporidae	FooDB	FooDB
Leptospermum scoparium	Plant	KNApSAcK
Lepus timidus	FooDB	FooDB
Leucosceptrum stellipilum	LOTUS Database	35616633
Leucothoe grayana Max.	Plant	KNApSAcK
Leucothoe keiskei	LOTUS Database	35616633
Licania pyrifolia	LOTUS Database	35616633
Ligularia dolichobotrys	LOTUS Database	35616633
Ligularia macrophylla	LOTUS Database	35616633
Ligularia sagitta	Plant	KNApSAcK
Ligustrum lucidum	Plant	KNApSAcK
Ligustrum obtusifolium	LOTUS Database	35616633
Liriope muscari	Plant	KNApSAcK
Lonicera angustifolia	LOTUS Database	35616633
Lotus creticus	LOTUS Database	35616633
Ludwigia octovalvis	Plant	KNApSAcK
Lycopus asper	LOTUS Database	35616633
Lydenburgia cassinoides	LOTUS Database	35616633
Lyonia ovalifolia	LOTUS Database	35616633
Lythrum salicaria	LOTUS Database	35616633
Macfadyena unguis-cati	LOTUS Database	35616633
Mallotus peltatus	LOTUS Database	35616633
Mallotus repandus	LOTUS Database	35616633
Malus	FooDB	KNAPSACK
Malus doumeri varl formosana	Plant	KNApSAcK
Malus pumila	FooDB	16448186
Malus spp.	Plant	KNApSAcK
Mandevilla martiana	LOTUS Database	35616633
Maquira coriacea	LOTUS Database	35616633
Marsypianthes chamaedrys	Plant	KNApSAcK
Melaleuca ericifolia	Plant	KNApSAcK
Melaleuca leucadendra	LOTUS Database	35616633
Melaleuca leucadendron	Plant	KNApSAcK
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Melia azedarach	LOTUS Database	35616633
Melissa officinalis L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Mentha longifolia	LOTUS Database	35616633
Mentha spicata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Meriandra benghalensis	Plant	KNApSAcK
Mesosphaerum pectinatum	LOTUS Database	35616633
Miconia fallax	LOTUS Database	35616633
Microtropis japonica	Plant	KNApSAcK
Mimusops elengi	LOTUS Database	35616633
Mirabilis himalaica	LOTUS Database	35616633
Mirabilis jalapa	LOTUS Database	35616633
Mitragyna speciosa	Plant	KNApSAcK
Mitragyna stipulosa	Plant	KNApSAcK
Monochaetum vulcanicum	Plant	KNApSAcK
Moquilea tomentosa	LOTUS Database	35616633
Morella rubra	Plant	KNApSAcK
Morinda citrifolia	Plant	KNApSAcK
Morinda citrifolia L.	Plant	KNApSAcK
Morinda officinalis	Plant	KNApSAcK
Morinda tinctoria var.tomentosa.	Plant	KNApSAcK
Morus alba	LOTUS Database	35616633
Morus australis	Plant	KNApSAcK
Morus insignis	Plant	KNApSAcK
Mosla dianthera	LOTUS Database	35616633
Mosla scabra	LOTUS Database	35616633
Musanga cecropioides	LOTUS Database	35616633
Mutisia friesiana	LOTUS Database	35616633
Myrcia guianensis	LOTUS Database	35616633
Myrianthus arboreus	Plant	KNApSAcK
Myrica gale	LOTUS Database	35616633
Myrtus communis	LOTUS Database	35616633
Nardostachys jatamansi	LOTUS Database	35616633
Neolamarckia cadamba	LOTUS Database	35616633
Nepeta juncea	LOTUS Database	35616633
Nepeta tuberosa	LOTUS Database	35616633
Nerium oleander	Plant	KNApSAcK
Nernstia mexicana	LOTUS Database	35616633
Nierembergia aristata	LOTUS Database	35616633
Nierembergia linariifolia	LOTUS Database	35616633
Nothofagus pumilio	Plant	KNApSAcK
Numida meleagris	FooDB	FooDB
Nuxia sphaerocephala	Plant	KNApSAcK
Ocimum basilicum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ocimum tenuiflorum	LOTUS Database	35616633
Odocoileus	FooDB	FooDB
Oldenlandia corymbosa	LOTUS Database	35616633
Oldenlandia diffusa	Plant	KNApSAcK
Oldenlandia herbacea	LOTUS Database	35616633
Olea europaea	FooDB	KNAPSACK
Ophiorrhiza liukiuensis	Plant	KNApSAcK
Origanum compactum	LOTUS Database	35616633
Origanum dictamnus	LOTUS Database	35616633
Origanum majorana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Origanum vulgare	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Orthosiphon stamineus	Plant	KNApSAcK
Oryctolagus	FooDB	FooDB
Oryza coarctata	LOTUS Database	35616633
Osbeckia chinensis	LOTUS Database	35616633
Osmanthus fortunei	LOTUS Database	35616633
Osmanthus fragrans	LOTUS Database	35616633
Osyris alba	LOTUS Database	35616633
Ovis aries	FooDB	FooDB
Oxyceros horridus	LOTUS Database	35616633
Palicourea coriacea	Plant	KNApSAcK
Panzerina lanata	LOTUS Database	35616633
Patrinia rupestris	LOTUS Database	35616633
Paulownia tomentosa	Plant	KNApSAcK
Pectenia plumbea	LOTUS Database	35616633
Pedalium murex	LOTUS Database	35616633
Perilla frutescens	LOTUS Database	35616633
Perilla frutescens (L.) Britton var.japonica Hara	Plant	KNApSAcK
Periploca graeca	LOTUS Database	35616633
Periploca nigrescens	LOTUS Database	35616633
Petasites tricholobus	Plant	KNApSAcK
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Phellinus pomaceus	LOTUS Database	35616633
Phellinus torulosus	LOTUS Database	35616633
Phillyrea latifolia	Plant	KNApSAcK
Photinia serratifolia	LOTUS Database	35616633
Photinia serrulata	Plant	KNApSAcK
Phryma leptostachya	LOTUS Database	35616633
Picramnia sellowii	LOTUS Database	35616633
Picris hieracioides	LOTUS Database	35616633
Pieris japonica	LOTUS Database	35616633
Pieris japonica D.Don.	Plant	KNApSAcK
Pimpinella major	LOTUS Database	35616633
Pinus roxburghii	Plant	KNApSAcK
Planchonella duclitan	LOTUS Database	35616633
Plantago asiatica	Plant	KNApSAcK
Plantago depressa	Plant	KNApSAcK
Plantago major	Plant	KNApSAcK
Platycarya strobilacea	Plant	KNApSAcK
Plectranthus fruticosus	LOTUS Database	35616633
Plectranthus ornatus	LOTUS Database	35616633
Plocama calabrica	LOTUS Database	35616633
Plumeria obtusa	Plant	KNApSAcK
Plumeria rubra	LOTUS Database	35616633
Polyscias bracteata	LOTUS Database	35616633
Potentilla chinensis	Plant	KNApSAcK
Pourouma guianensis	LOTUS Database	35616633
Pouteria torta	LOTUS Database	35616633
Prosopis glandulosa	LOTUS Database	35616633
Prostanthera melissifolia	Plant	KNApSAcK
Prunella vulgaris	Plant	KNApSAcK
Prunus africana	LOTUS Database	35616633
Prunus avium	FooDB	KNAPSACK
Prunus cerasoides	LOTUS Database	35616633
Prunus cerasus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus dulcis	LOTUS Database	35616633
Prunus persica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus serotina	Plant	KNApSAcK
Prunus zippeliana	LOTUS Database	35616633
Psidium cattleianum	LOTUS Database	35616633
Psidium guajava	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Psychotria serpens	LOTUS Database	35616633
Punica granatum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Punica granatum LINN.	Plant	KNApSAcK
Pyracantha coccinea	LOTUS Database	35616633
Pyrola americana	LOTUS Database	35616633
Pyrola incarnata	Plant	KNApSAcK
Pyrola japonica	Plant	KNApSAcK
Pyrola rugosa	Plant	KNApSAcK
Pyrus communis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pyrus spp.	Plant	KNApSAcK
Quercus leucotrichophora	LOTUS Database	35616633
Quercus macrocarpa	LOTUS Database	35616633
Rabdosia amethystoides	Plant	KNApSAcK
Ramalina hierrensis	LOTUS Database	35616633
Retanilla trinervia	LOTUS Database	35616633
Rhaphiolepis bibas	Plant	KNApSAcK
Rhododendron anthopogon	LOTUS Database	35616633
Rhododendron barbatum	LOTUS Database	35616633
Rhododendron brachycarpum	LOTUS Database	35616633
Rhododendron dauricum	LOTUS Database	35616633
Rhododendron ferrugineum	LOTUS Database	35616633
Rhododendron formosanum	LOTUS Database	35616633
Rhododendron hymenanthus	Plant	KNApSAcK
Rhododendron latoucheae	LOTUS Database	35616633
Rhododendron parvifolium	LOTUS Database	35616633
Rhododendron spinuliferum	LOTUS Database	35616633
Rosa chinensis	LOTUS Database	35616633
Rosa davurica	LOTUS Database	35616633
Rosa laevigata	LOTUS Database	35616633
Rosa rugosa	LOTUS Database	35616633
Rosa taiwanensis	LOTUS Database	35616633
Rosa transmorrisonensis	LOTUS Database	35616633
Roscoea purpurea	LOTUS Database	35616633
Rubia wallichiana	Plant	KNApSAcK
Rubia wallichiana DECNE	Plant	KNApSAcK
Rubia yunnanensis	LOTUS Database	35616633
Rubus crataegifolius	LOTUS Database	35616633
Rubus ellipticus	Plant	KNApSAcK
Rubus idaeus	LOTUS Database	35616633
Rubus parvifolius	LOTUS Database	35616633
Rubus pinfaensis	LOTUS Database	35616633
Rubus ulmifolius	LOTUS Database	35616633
Rudgea jasminoides	LOTUS Database	35616633
Salacia chinensis	LOTUS Database	35616633
Salvia africana	LOTUS Database	35616633
Salvia africana-lutea	LOTUS Database	35616633
Salvia albimaculata	LOTUS Database	35616633
Salvia amplexicaulis	LOTUS Database	35616633
Salvia amplexicaulis Lam.	Plant	KNApSAcK
Salvia apiana	LOTUS Database	35616633
Salvia argentea	LOTUS Database	35616633
Salvia blepharophylla	LOTUS Database	35616633
Salvia breviflora	Plant	KNApSAcK
Salvia caespitosa	LOTUS Database	35616633
Salvia canariensis	LOTUS Database	35616633
Salvia canariensis L.	Plant	KNApSAcK
Salvia candelabrum	LOTUS Database	35616633
Salvia candicans	LOTUS Database	35616633
Salvia ceratophylla L.	LOTUS Database	35616633
Salvia chinopeplica	Plant	KNApSAcK
Salvia chionopeplica	LOTUS Database	35616633
Salvia deserta	LOTUS Database	35616633
Salvia dianthera	LOTUS Database	35616633
Salvia divaricata	LOTUS Database	35616633
Salvia farinacea	LOTUS Database	35616633
Salvia glutinosa	LOTUS Database	35616633
Salvia greggii	LOTUS Database	35616633
Salvia hierosolymitana	LOTUS Database	35616633
Salvia karwinskii	LOTUS Database	35616633
Salvia lanigera	LOTUS Database	35616633
Salvia lavanduloides	LOTUS Database	35616633
Salvia leucantha	LOTUS Database	35616633
Salvia limbata	LOTUS Database	35616633
Salvia melissodora	LOTUS Database	35616633
Salvia mellifera	LOTUS Database	35616633
Salvia microphylla	LOTUS Database	35616633
Salvia miltiorrhiza	Plant	KNApSAcK
Salvia montbretii	LOTUS Database	35616633
Salvia nemorosa	LOTUS Database	35616633
Salvia nicolsoniana	Plant	KNApSAcK
Salvia officinalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Salvia palaestina	LOTUS Database	35616633
Salvia przewalskii	LOTUS Database	35616633
Salvia regla	LOTUS Database	35616633
Salvia reptans	LOTUS Database	35616633
Salvia rhyacophila	LOTUS Database	35616633
Salvia rosmarinus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Salvia sclareoides	LOTUS Database	35616633
Salvia syriaca	LOTUS Database	35616633
Salvia syriaca L.	Plant	KNApSAcK
Salvia thymoides	LOTUS Database	35616633
Salvia tomentosa	LOTUS Database	35616633
Salvia verticillata	LOTUS Database	35616633
Salvia virgata	Plant	KNApSAcK
Salvia wagneriana	LOTUS Database	35616633
Salvia xalapensis	LOTUS Database	35616633
Salzmannia nitida	LOTUS Database	35616633
Sambucus adnata	LOTUS Database	35616633
Sambucus chinensis	LOTUS Database	35616633
Sambucus nigra	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sarcopoterium spinosum	LOTUS Database	35616633
Satureja acinos	Plant	KNApSAcK
Satureja calamintha	Plant	KNApSAcK
Satureja cuneifolia	LOTUS Database	35616633
Satureja hortensis L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Satureja montana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Scapholeberis mucronata	LOTUS Database	35616633
Scutellaria lateriflora	LOTUS Database	35616633
Scutellaria strigillosa	Plant	KNApSAcK
Shorea robusta	LOTUS Database	35616633
Sideritis candicans var.eriocephala	Plant	KNApSAcK
Sideritis dendro-chahorra	LOTUS Database	35616633
Sideritis discolor	Plant	KNApSAcK
Sideritis soluta	Plant	KNApSAcK
Sinacalia tangutica	LOTUS Database	35616633
Smallanthus maculatus	LOTUS Database	35616633
Solanum incanum	LOTUS Database	35616633
Solidago canadensis	LOTUS Database	35616633
Sorbus aucuparia	LOTUS Database	35616633
Spathodea campanulata	LOTUS Database	35616633
Spermacoce pusilla	LOTUS Database	35616633
Stereocaulon azoreum	LOTUS Database	35616633
Stereospermum acuminatissimum	LOTUS Database	35616633
Sticta caulescens	LOTUS Database	35616633
Stizophyllum riparium	LOTUS Database	35616633
Struthio camelus	FooDB	FooDB
Strychnos spinosa	LOTUS Database	35616633
Strychnos vanprukii Craib.	Plant	KNApSAcK
Styrax camporum	LOTUS Database	35616633
Styrax ferrugineus	LOTUS Database	35616633
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB
Swertia chirata	LOTUS Database	35616633
Swertia corymbosa	LOTUS Database	35616633
Swertia petiolata	LOTUS Database	35616633
Swertia thomsonii	LOTUS Database	35616633
Symphoricarpos albus	LOTUS Database	35616633
Symphyotrichum subulatum	LOTUS Database	35616633
Symplocos lancifolia	LOTUS Database	35616633
Symplocos paniculata	LOTUS Database	35616633
Syringa reticulata	LOTUS Database	35616633
Syringa vulgaris	LOTUS Database	35616633
Syzygium buxifolium	Plant	KNApSAcK
Syzygium formosanum	Plant	KNApSAcK
Syzygium nervosum	LOTUS Database	35616633
Syzygium samarangense	LOTUS Database	35616633
Tadehagi triquetrum	LOTUS Database	35616633
Tamarix gallica	LOTUS Database	35616633
Tanaecium bilabiatum	LOTUS Database	35616633
Taraxacum officinale	LOTUS Database	35616633
Tecoma stans	LOTUS Database	35616633
Tectona grandis	LOTUS Database	35616633
Tephrosia purpurea	LOTUS Database	35616633
Terminalia brachystemma	LOTUS Database	35616633
Terminalia catappa	LOTUS Database	35616633
Terminalia glabrescens	LOTUS Database	35616633
Ternstroemia japonica	LOTUS Database	35616633
Teucrium chamaedrys	LOTUS Database	35616633
Teucrium heterophyllum	LOTUS Database	35616633
Teucrium kotschyanum	LOTUS Database	35616633
Thevetia peruviana	LOTUS Database	35616633
Thymus pubescens	Plant	KNApSAcK
Thymus vulgaris	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Tripterospermum lanceolatum	LOTUS Database	35616633
Trogopterus xanthipes	LOTUS Database	35616633
Uncaria hirsuta	LOTUS Database	35616633
Uncaria rhynchophylla	LOTUS Database	35616633
Uncaria sinensis	LOTUS Database	35616633
Uncaria tomentosa	Plant	KNApSAcK
Urtica dioica	LOTUS Database	35616633
Vaccinium bracteatum	LOTUS Database	35616633
Vaccinium corymbosum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vaccinium macrocarpon	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vaccinium myrtillus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vaccinium uliginosum	LOTUS Database	35616633
Valeriana laxiflora	Plant	KNApSAcK
Valeriana officinalis	LOTUS Database	35616633
Vatica cinerea	Plant	KNApSAcK
Verbena litoralis	LOTUS Database	35616633
Verbena littoralis	Plant	KNApSAcK
Verbena officinalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Viburnum cylindricum	LOTUS Database	35616633
Viburnum dilatatum	LOTUS Database	35616633
Viburnum furcatum	LOTUS Database	35616633
Viburnum jucundum	LOTUS Database	35616633
Viburnum lantana L.	Plant	KNApSAcK
Viburnum odoratissimum	LOTUS Database	35616633
Viburnum opulus	LOTUS Database	35616633
Viburnum rhytidophyllum	LOTUS Database	35616633
Viburnum wrightii	LOTUS Database	35616633
Viscum album	LOTUS Database	35616633
Vismia guianensis	LOTUS Database	35616633
Vitex altissima	LOTUS Database	35616633
Vitex negundo	LOTUS Database	35616633
Vitex peduncularis	LOTUS Database	35616633
Vitis vinifera L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vochysia ferruginea	LOTUS Database	35616633
Wendlandia formosana	LOTUS Database	35616633
Woodfordia fruticosa	LOTUS Database	35616633
Woodwardia radicans	LOTUS Database	35616633
Zenobia pulverulenta	LOTUS Database	35616633
Ziziphora clinopodioides	LOTUS Database	35616633
Ziziphora pamiroalaica	LOTUS Database	35616633
Ziziphora tenuior	LOTUS Database	35616633
Ziziphus jujuba	Plant	KNApSAcK
Ziziphus jujuba var.spinosa	Plant	KNApSAcK
Ziziphus spina-christi	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Cyclic alcohol
Secondary alcohol
Monocarboxylic acid or derivatives
Carboxylic acid
Carboxylic acid derivative
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Alcohol
Aliphatic homopolycyclic compound

Molecular Framework

Aliphatic homopolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	6.35	ALOGPS
logP	6.58	ChemAxon
logS	-5.9	ALOGPS
pKa (Strongest Acidic)	4.74	ChemAxon
pKa (Strongest Basic)	-0.84	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	133.7 m³·mol⁻¹	ChemAxon
Polarizability	54.75 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB014373

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Ursolic acid

METLIN ID

Not Available

PubChem Compound

13073350

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for Ursolic acid (NP0048287)

MOL for NP0048287 (Ursolic acid)

3D MOL for NP0048287 (Ursolic acid)

3D SDF for NP0048287 (Ursolic acid)

3D-SDF for NP0048287 (Ursolic acid)

PDB for NP0048287 (Ursolic acid)

3D PDB for NP0048287 (Ursolic acid)

SMILES for NP0048287 (Ursolic acid)

INCHI for NP0048287 (Ursolic acid)

Structure for NP0048287 (Ursolic acid)

3D Structure for NP0048287 (Ursolic acid)