NP-MRD: Showing NP-Card for (-)-caryophyllene oxide (NP0032438)

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Record Information

Version

2.0

Created at

2021-06-19 23:14:33 UTC

Updated at

2021-08-20 00:00:25 UTC

NP-MRD ID

NP0032438

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(-)-caryophyllene oxide

Provided By

JEOL Database JEOL Logo

Description

(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]Dodecane, also known as caryophyllene oxide, belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. (-)-caryophyllene oxide is found in Abies cilicica, Abutilon indicum , Acamptopappus sphaerocephalus, Achillea coarctata, Achillea millefolium, Achillea nobilis, Achyrospermum africanum, Acorus calamus, Aegle marmelos, Aframomum angustifolium, Aframomum melegueta, Aframomum sceptrum, Agastache foeniculum, Agastache rugosa, Agatis ovata, Eupatorium adenophorum , Ageratina conyzoides, Ageratina ligustrina, Ageratum conyzoides, Aglaia leucophylla, Aloysia gratissima, Aloysia triphylla, Alpinia chinensis, Alpinia galanga, Alpinia latilabris, Alpinia zerumbet, Amyris elemifera, Annona squamosa, Anthemis aciphylla, Artabotrys hexapetalus, Artemisia absinthium, Artemisia annua, Artemisia arborescens, Artemisia lagocephala, Artemisia rubripes, Artemisia santolinifolia, Artemisia thuscula, Aster scaber, Austrobaileya scandens, Austrobrickellia patens, Austroeupatorium inulifolium, Austromyrtus dulcis, Baccharis coridifolia, Baccharis linearifolia, Baccharis sarothroides, Baeckea frutescens L. , Beilschmiedia erythrophloia, Bethencourtia palmensis, Betula pendula, Betula platyphylla, Bidens graveolens, Blepharispermum zanguebaricum, Blepharocalyx tweediei, Boenninghausenia albiflora, Boswellia sacra, Bothriochloa bladhii, Bouchardatia neurococca, Brickellia californica, Brickellia laciniata, Bunium persicum, Buphthalmum salicifolium, Bupleurum acutifolium, Clinopodium ashei, Canella winterana, Cantinoa mutabilis, Centella asiatica, Carapichea ipecacuanha, Cephalosporium aphidicola ,, Chiliadenus lopadusanus, Chromolaena laevigata, Chromolaena odorata, Cinnamomum parthenoxylon, Cinnamomum sieboldii, Cinnamomum subavenium MIQ., Cinnamomum verum, Cistus incanus, Citrus limon, Citrus medica, Poncirus trifoliata , Cleistopholis patens, Cleonia lusitanica, Clinopodium brownei, Clinopodium grandiflorum, Conyza aegyptiaca, Conyza filaginoides, Conyza scabrida, Conyza sumatrensis, Cratoxylum cochinchinense, Croton cortesianus, Croton ovalifolius, Cunila microcephala, Cupressus sempervirens, Curcuma pierreana, Cymbopogon flexuosus, Cymbopogon martinii, Cyperus rotundus, Dacrydium cupressinum, Dacrydium nausoriense, Dendropanax trifidus, Duguetia confinis, Dumortiera hirsuta, Echinophora tournefortii, Elsholtzia ciliata, Erica manipuliflora, Eryngium foetidum, Eucalyptus camaldulensis, Eucalyptus dealbata, Eucalyptus globulus, Eupatorium altissimum, Flourensia cernua, Friesodielsia velutina, Geigeria plumosa, Greenmaniella resinosa, Grindelia scorzonerifolia, Guatteria blepharophylla, Gundelia tournefortii, Gynura japonica, Haplopappus glutinosus, Hedychium spicatum, Helichrysum kraussii, Hesperozygis rhododon, Hexalobus monopetalus, Hugonia castaneifolia, Humulus lupulus, Hymenocrater incanus, Hypericum hircinum, Hypericum lysimachioides, Hypericum triquetrifolium, Mesosphaerum suaveolens, Hyssopus officinalis, Inula helenium, Juniperus chinensis, Juniperus communis, Lantana xenica, Laurus nobilis, Lavandin abrialis, Lavandula latifolia, Lepechinia chamaedryoides, Lepechinia floribunda, Leplaea cedrata, Lessingianthus mollissimus, Lindera neesiana, Liquidambar formosana, Magnolia obovata, Marchantia paleacea, Matricaria chamomilla, Melaleuca quinquenervia, Melaleuca styphelioides, Melampodium divaricatum, Melissa officinalis, Mentha aquatica, Mentha arvensis L. , Mentha piperita , Magnolia alba, Micromeria biflora, Micromeria cristata, Monanthotaxis capea, Monocyclanthus vignei, Mosla cavaleriei, Murraya koenigii, Nardophyllum lanatum, Nelumbo lutea, Neolitsea hiiranensis, Nepeta cataria, Nepeta nuda, Nepeta racemosa, Ocimum tenuiflorum, Olearia phlogopappa, Origanum acutidens, Origanum adanense, Origanum cordifolium, Origanum dictamnus, Origanum hypericifolium, Origanum laevigatum, Origanum majorana, Origanum vulgare , Osteospermum corymbosum, Ozothamnus retusus, Pelargonium endlicherianum, Pelargonium quercifolium, Perilla frutescens, Persicaria minor, Persicaria pubescens, Phlomis lanata, Pimenta dioica, Pimenta racemosa, Pimpinella serbica, Pinus densiflora, Pinus massoniana, Pinus merkusii, Piper aduncum, Piper arboreum , Piper auritum, Piper fimbriulatum, Piper gaudichaudianum, Piper guineense, Piper marginatum, Piper mullesua, Piper nigrum , Piper obliquum, Piper retrofractum, Plagiochasma rupestre, Plectranthus fruticosus, Polygala senega, Psiadia altissima, Pteronia camphorata, Rhanterium epapposum, Rudbeckia subtomentosa, Salvia absconditiflora, Salvia caespitosa, Salvia cuspidata, Salvia cyanescens, Salvia fruticosa, Salvia hydrangea, Salvia mirzayanii, Salvia officinalis, Rosmarinus officinalis , Salvia santolinifolia, Salvia sclarea, Salvia staminea, Salvia vermifolia, Salvia sylvestris, Sandoricum koetjape, Santolina rosmarinifolia, Satureja spicigera, Scandix australis, Schinus molle, Sclerocarpus sessilifolius, Senecio brasiliensis, Senecio crassissimus, Senecio doria, Shorea robusta, Sideritis tragoriganum, Smallanthus maculatus, Solanum tuberosum, Spondias mombin, Stachys recta, Steganotaenia araliacea, Stevia rebaudiana, Eugenia caryophyllata , Syzygium formosanum, Syzygium nervosum, Tabernaemontana catharinensis, Tagetes patula, Tanacetum parthenium, Tasmannia lanceolata, Taxus wallichiana , Tessaria fastigiata, Teucrium pestalozzae, Teucrium polium, Thapsia villosa, Thuja occidentalis, Thymbra spicata, Thymus broussonetti, Thymus eigii, Thymus longicaulis, Thymus maroccanus, Thymus praecos, Thymus revolutus, Thymus zygioides, Tithonia diversifolia, Tordylium apulum, Trichilia claussenii, Trichilia lepidota, Tripetalum cymosum, Turnera diffusa , Ursinia speciosa, Uvaria chamae, Valeriana officinalis, Verbena officinalis , Veronica spicata, Vitex agnus-castus, Vitex limonifolia, Waitzia acuminata, Zanthoxylum ailanthoides, Zanthoxylum simulans, Zingiber cassumunar Roxb. , Zingiber zerumbet, Zinnia elegans and Ziziphora hispanica. (-)-caryophyllene oxide was first documented in 2006 (Choudhary, M. I., et al.). Based on a literature review very few articles have been published on (1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0⁴,⁶]Dodecane.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306202101143D          

 40 42  0  0  0  0            999 V2000
   -2.0789   -2.6184   -0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349   -1.6639    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5360   -1.1032    1.4926 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6361   -0.1629    0.9675 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1461    0.6852   -0.1542 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5000    2.0666   -0.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1113    1.7672    0.0733 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6974    2.2496    1.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1660    2.0131   -1.0678 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1759    1.2928   -0.9040 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0864   -0.2404   -0.9901 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2488   -1.0891    0.2852 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8895   -2.0665   -0.1077 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4945   -0.9632   -1.0150 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8835   -1.4575   -2.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763   -0.2616   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0842   -3.0204   -0.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4820   -3.0199   -1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9294   -0.5667    2.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0031   -1.9249    2.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0289    0.4400    1.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4784   -0.7634    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1649    0.1588   -1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8858    1.6385    1.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3464    3.2854    1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5234    2.2247    2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    3.0919   -1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6212    1.7189   -2.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8262    1.6438   -1.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.5992    0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260   -0.5243   -1.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266   -0.5530    1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151   -2.3893    0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6012   -2.9713   -0.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1452   -0.6166   -3.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0641   -2.0057   -2.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464   -2.1304   -2.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5307   -0.9416   -0.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0036    0.6071   -0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    0.0831    0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  9  7  1  0  0  0  0
  7  5  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  6  0  0  0
 13 12  1  0  0  0  0
 11 31  1  6  0  0  0
 11 14  1  0  0  0  0
  7  6  1  0  0  0  0
 14 16  1  0  0  0  0
 12 11  1  0  0  0  0
 12 32  1  1  0  0  0
 11 10  1  0  0  0  0
  7  8  1  1  0  0  0
  5  6  1  0  0  0  0
 12  2  1  0  0  0  0
  2  1  2  3  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  6  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
M  END

     RDKit          3D

 40 42  0  0  0  0  0  0  0  0999 V2000
   -2.0789   -2.6184   -0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349   -1.6639    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5360   -1.1032    1.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6361   -0.1629    0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1461    0.6852   -0.1542 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5000    2.0666   -0.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1113    1.7672    0.0733 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6974    2.2496    1.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1660    2.0131   -1.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759    1.2928   -0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0864   -0.2404   -0.9901 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2488   -1.0891    0.2852 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8895   -2.0665   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4945   -0.9632   -1.0150 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8835   -1.4575   -2.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763   -0.2616   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0842   -3.0204   -0.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4820   -3.0199   -1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9294   -0.5667    2.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0031   -1.9249    2.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0289    0.4400    1.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4784   -0.7634    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1649    0.1588   -1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8858    1.6385    1.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3464    3.2854    1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5234    2.2247    2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    3.0919   -1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6212    1.7189   -2.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8262    1.6438   -1.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.5992    0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260   -0.5243   -1.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266   -0.5530    1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151   -2.3893    0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6012   -2.9713   -0.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1452   -0.6166   -3.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0641   -2.0057   -2.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464   -2.1304   -2.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5307   -0.9416   -0.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0036    0.6071   -0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    0.0831    0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  9 10  1  0
  9  7  1  0
  7  5  1  0
 14 13  1  0
 14 15  1  6
 13 12  1  0
 11 31  1  6
 11 14  1  0
  7  6  1  0
 14 16  1  0
 12 11  1  0
 12 32  1  1
 11 10  1  0
  7  8  1  1
  5  6  1  0
 12  2  1  0
  2  1  2  3
 13 33  1  0
 13 34  1  0
 10 29  1  0
 10 30  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  6
  9 27  1  0
  9 28  1  0
 15 35  1  0
 15 36  1  0
 15 37  1  0
 16 38  1  0
 16 39  1  0
 16 40  1  0
  8 24  1  0
  8 25  1  0
  8 26  1  0
  1 17  1  0
  1 18  1  0
M  END


  Mrv1652306202101143D          

 40 42  0  0  0  0            999 V2000
   -2.0789   -2.6184   -0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349   -1.6639    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5360   -1.1032    1.4926 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.6361   -0.1629    0.9675 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.1461    0.6852   -0.1542 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5000    2.0666   -0.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1113    1.7672    0.0733 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6974    2.2496    1.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1660    2.0131   -1.0678 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1759    1.2928   -0.9040 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0864   -0.2404   -0.9901 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2488   -1.0891    0.2852 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8895   -2.0665   -0.1077 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4945   -0.9632   -1.0150 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8835   -1.4575   -2.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763   -0.2616   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0842   -3.0204   -0.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4820   -3.0199   -1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9294   -0.5667    2.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0031   -1.9249    2.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0289    0.4400    1.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4784   -0.7634    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1649    0.1588   -1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8858    1.6385    1.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3464    3.2854    1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5234    2.2247    2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    3.0919   -1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6212    1.7189   -2.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8262    1.6438   -1.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.5992    0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260   -0.5243   -1.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266   -0.5530    1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151   -2.3893    0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6012   -2.9713   -0.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1452   -0.6166   -3.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0641   -2.0057   -2.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464   -2.1304   -2.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5307   -0.9416   -0.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0036    0.6071   -0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    0.0831    0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  9 10  1  0  0  0  0
  9  7  1  0  0  0  0
  7  5  1  0  0  0  0
 14 13  1  0  0  0  0
 14 15  1  6  0  0  0
 13 12  1  0  0  0  0
 11 31  1  6  0  0  0
 11 14  1  0  0  0  0
  7  6  1  0  0  0  0
 14 16  1  0  0  0  0
 12 11  1  0  0  0  0
 12 32  1  1  0  0  0
 11 10  1  0  0  0  0
  7  8  1  1  0  0  0
  5  6  1  0  0  0  0
 12  2  1  0  0  0  0
  2  1  2  3  0  0  0
 13 33  1  0  0  0  0
 13 34  1  0  0  0  0
 10 29  1  0  0  0  0
 10 30  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5 23  1  6  0  0  0
  9 27  1  0  0  0  0
  9 28  1  0  0  0  0
 15 35  1  0  0  0  0
 15 36  1  0  0  0  0
 15 37  1  0  0  0  0
 16 38  1  0  0  0  0
 16 39  1  0  0  0  0
 16 40  1  0  0  0  0
  8 24  1  0  0  0  0
  8 25  1  0  0  0  0
  8 26  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0032438

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C([H])=C1C([H])([H])C([H])([H])[C@@]2([H])O[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@]2([H])[C@]1([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1

> <INCHI_KEY>
NVEQFIOZRFFVFW-RGCMKSIDSA-N

> <FORMULA>
C15H24O

> <MOLECULAR_WEIGHT>
220.356

> <EXACT_MASS>
220.182715393

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
40

> <JCHEM_AVERAGE_POLARIZABILITY>
26.46834948372059

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecane

> <ALOGPS_LOGP>
3.49

> <JCHEM_LOGP>
3.6185278833333334

> <ALOGPS_LOGS>
-4.50

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.224447799898045

> <JCHEM_POLAR_SURFACE_AREA>
12.53

> <JCHEM_REFRACTIVITY>
66.2129

> <JCHEM_ROTATABLE_BOND_COUNT>
0

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
6.96e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecane

> <JCHEM_VEBER_RULE>
1

$$$$

     RDKit          3D

 40 42  0  0  0  0  0  0  0  0999 V2000
   -2.0789   -2.6184   -0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349   -1.6639    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5360   -1.1032    1.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6361   -0.1629    0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1461    0.6852   -0.1542 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5000    2.0666   -0.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1113    1.7672    0.0733 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6974    2.2496    1.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1660    2.0131   -1.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759    1.2928   -0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0864   -0.2404   -0.9901 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2488   -1.0891    0.2852 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8895   -2.0665   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4945   -0.9632   -1.0150 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8835   -1.4575   -2.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763   -0.2616   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0842   -3.0204   -0.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4820   -3.0199   -1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9294   -0.5667    2.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0031   -1.9249    2.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0289    0.4400    1.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4784   -0.7634    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1649    0.1588   -1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8858    1.6385    1.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3464    3.2854    1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5234    2.2247    2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    3.0919   -1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6212    1.7189   -2.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8262    1.6438   -1.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.5992    0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260   -0.5243   -1.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266   -0.5530    1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151   -2.3893    0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6012   -2.9713   -0.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1452   -0.6166   -3.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0641   -2.0057   -2.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464   -2.1304   -2.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5307   -0.9416   -0.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0036    0.6071   -0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    0.0831    0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  9 10  1  0
  9  7  1  0
  7  5  1  0
 14 13  1  0
 14 15  1  6
 13 12  1  0
 11 31  1  6
 11 14  1  0
  7  6  1  0
 14 16  1  0
 12 11  1  0
 12 32  1  1
 11 10  1  0
  7  8  1  1
  5  6  1  0
 12  2  1  0
  2  1  2  3
 13 33  1  0
 13 34  1  0
 10 29  1  0
 10 30  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  6
  9 27  1  0
  9 28  1  0
 15 35  1  0
 15 36  1  0
 15 37  1  0
 16 38  1  0
 16 39  1  0
 16 40  1  0
  8 24  1  0
  8 25  1  0
  8 26  1  0
  1 17  1  0
  1 18  1  0
M  END

HEADER    PROTEIN                                 20-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-JUN-21         0                                  
HETATM    1  C   UNK     0      -2.079  -2.618  -0.428  0.00  0.00           C+0
HETATM    2  C   UNK     0      -1.635  -1.664   0.407  0.00  0.00           C+0
HETATM    3  C   UNK     0      -2.536  -1.103   1.493  0.00  0.00           C+0
HETATM    4  C   UNK     0      -3.636  -0.163   0.968  0.00  0.00           C+0
HETATM    5  C   UNK     0      -3.146   0.685  -0.154  0.00  0.00           C+0
HETATM    6  O   UNK     0      -3.500   2.067  -0.183  0.00  0.00           O+0
HETATM    7  C   UNK     0      -2.111   1.767   0.073  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.697   2.250   1.433  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.166   2.013  -1.068  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.176   1.293  -0.904  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.086  -0.240  -0.990  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.249  -1.089   0.285  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.890  -2.067  -0.108  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.494  -0.963  -1.015  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.884  -1.458  -2.408  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.676  -0.262  -0.338  0.00  0.00           C+0
HETATM   17  H   UNK     0      -3.084  -3.020  -0.333  0.00  0.00           H+0
HETATM   18  H   UNK     0      -1.482  -3.020  -1.240  0.00  0.00           H+0
HETATM   19  H   UNK     0      -1.929  -0.567   2.232  0.00  0.00           H+0
HETATM   20  H   UNK     0      -3.003  -1.925   2.051  0.00  0.00           H+0
HETATM   21  H   UNK     0      -4.029   0.440   1.794  0.00  0.00           H+0
HETATM   22  H   UNK     0      -4.478  -0.763   0.602  0.00  0.00           H+0
HETATM   23  H   UNK     0      -3.165   0.159  -1.102  0.00  0.00           H+0
HETATM   24  H   UNK     0      -0.886   1.639   1.837  0.00  0.00           H+0
HETATM   25  H   UNK     0      -1.346   3.285   1.377  0.00  0.00           H+0
HETATM   26  H   UNK     0      -2.523   2.225   2.151  0.00  0.00           H+0
HETATM   27  H   UNK     0      -0.979   3.092  -1.137  0.00  0.00           H+0
HETATM   28  H   UNK     0      -1.621   1.719  -2.022  0.00  0.00           H+0
HETATM   29  H   UNK     0       0.826   1.644  -1.716  0.00  0.00           H+0
HETATM   30  H   UNK     0       0.654   1.599   0.033  0.00  0.00           H+0
HETATM   31  H   UNK     0      -0.526  -0.524  -1.860  0.00  0.00           H+0
HETATM   32  H   UNK     0       0.027  -0.553   1.205  0.00  0.00           H+0
HETATM   33  H   UNK     0       1.515  -2.389   0.733  0.00  0.00           H+0
HETATM   34  H   UNK     0       0.601  -2.971  -0.653  0.00  0.00           H+0
HETATM   35  H   UNK     0       2.145  -0.617  -3.059  0.00  0.00           H+0
HETATM   36  H   UNK     0       1.064  -2.006  -2.886  0.00  0.00           H+0
HETATM   37  H   UNK     0       2.746  -2.130  -2.359  0.00  0.00           H+0
HETATM   38  H   UNK     0       3.531  -0.942  -0.247  0.00  0.00           H+0
HETATM   39  H   UNK     0       3.004   0.607  -0.919  0.00  0.00           H+0
HETATM   40  H   UNK     0       2.424   0.083   0.671  0.00  0.00           H+0
CONECT    1    2   17   18                                                  
CONECT    2    3   12    1                                                  
CONECT    3    2    4   19   20                                             
CONECT    4    3    5   21   22                                             
CONECT    5    4    7    6   23                                             
CONECT    6    7    5                                                       
CONECT    7    9    5    6    8                                             
CONECT    8    7   24   25   26                                             
CONECT    9   10    7   27   28                                             
CONECT   10    9   11   29   30                                             
CONECT   11   31   14   12   10                                             
CONECT   12   13   11   32    2                                             
CONECT   13   14   12   33   34                                             
CONECT   14   13   15   11   16                                             
CONECT   15   14   35   36   37                                             
CONECT   16   14   38   39   40                                             
CONECT   17    1                                                            
CONECT   18    1                                                            
CONECT   19    3                                                            
CONECT   20    3                                                            
CONECT   21    4                                                            
CONECT   22    4                                                            
CONECT   23    5                                                            
CONECT   24    8                                                            
CONECT   25    8                                                            
CONECT   26    8                                                            
CONECT   27    9                                                            
CONECT   28    9                                                            
CONECT   29   10                                                            
CONECT   30   10                                                            
CONECT   31   11                                                            
CONECT   32   12                                                            
CONECT   33   13                                                            
CONECT   34   13                                                            
CONECT   35   15                                                            
CONECT   36   15                                                            
CONECT   37   15                                                            
CONECT   38   16                                                            
CONECT   39   16                                                            
CONECT   40   16                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   84    0
END

RDKit          3D

40 42  0  0  0  0  0  0  0  0999 V2000
   -2.0789   -2.6184   -0.4281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349   -1.6639    0.4074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5360   -1.1032    1.4926 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6361   -0.1629    0.9675 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1461    0.6852   -0.1542 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5000    2.0666   -0.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1113    1.7672    0.0733 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6974    2.2496    1.4327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1660    2.0131   -1.0678 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1759    1.2928   -0.9040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0864   -0.2404   -0.9901 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.2488   -1.0891    0.2852 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8895   -2.0665   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4945   -0.9632   -1.0150 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8835   -1.4575   -2.4082 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6763   -0.2616   -0.3379 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0842   -3.0204   -0.3330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4820   -3.0199   -1.2395 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9294   -0.5667    2.2316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0031   -1.9249    2.0506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0289    0.4400    1.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4784   -0.7634    0.6020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1649    0.1588   -1.1017 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8858    1.6385    1.8366 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3464    3.2854    1.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5234    2.2247    2.1508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9793    3.0919   -1.1375 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6212    1.7189   -2.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8262    1.6438   -1.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6542    1.5992    0.0326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5260   -0.5243   -1.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0266   -0.5530    1.2049 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5151   -2.3893    0.7326 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6012   -2.9713   -0.6527 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1452   -0.6166   -3.0593 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0641   -2.0057   -2.8859 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464   -2.1304   -2.3586 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5307   -0.9416   -0.2468 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0036    0.6071   -0.9190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4235    0.0831    0.6705 H   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  9 10  1  0
  9  7  1  0
  7  5  1  0
 14 13  1  0
 14 15  1  6
 13 12  1  0
 11 31  1  6
 11 14  1  0
  7  6  1  0
 14 16  1  0
 12 11  1  0
 12 32  1  1
 11 10  1  0
  7  8  1  1
  5  6  1  0
 12  2  1  0
  2  1  2  3
 13 33  1  0
 13 34  1  0
 10 29  1  0
 10 30  1  0
  3 19  1  0
  3 20  1  0
  4 21  1  0
  4 22  1  0
  5 23  1  6
  9 27  1  0
  9 28  1  0
 15 35  1  0
 15 36  1  0
 15 37  1  0
 16 38  1  0
 16 39  1  0
 16 40  1  0
  8 24  1  0
  8 25  1  0
  8 26  1  0
  1 17  1  0
  1 18  1  0
M  END

View in JSmol

Synonyms

Value	Source
Caryophyllene oxide	Kegg
beta-Caryophyllene oxide	MeSH
(-)-Caryophyllene oxide	PhytoBank
(-)-Epoxydihydrocaryophyllene	PhytoBank
(-)-beta-Caryophyllene epoxide	PhytoBank
(-)-β-Caryophyllene epoxide	PhytoBank
(-)-beta-Caryophyllene oxide	PhytoBank
(-)-β-Caryophyllene oxide	PhytoBank
4beta,5alpha-Epoxycaryophyllene	PhytoBank
4β,5α-Epoxycaryophyllene	PhytoBank
6,7-Epoxy-3(15)-caryophyllene	PhytoBank
Caryophyllene 4beta,5alpha-epoxide	PhytoBank
Caryophyllene 4β,5α-epoxide	PhytoBank
Caryophyllene 4beta,5alpha-oxide	PhytoBank
Caryophyllene 4β,5α-oxide	PhytoBank
Caryophyllene epoxide	PhytoBank
trans-Caryophyllene oxide	PhytoBank
beta-Caryophyllene epoxide	PhytoBank
β-Caryophyllene epoxide	PhytoBank
β-Caryophyllene oxide	PhytoBank
beta-Caryophyllene-4beta,5alpha-epoxide	PhytoBank
beta-Caryophyllene-4β,5α-epoxide	PhytoBank
4,5-Caryophyllene oxide	PhytoBank

Chemical Formula

C₁₅H₂₄O

Average Mass

220.3560 Da

Monoisotopic Mass

220.18272 Da

IUPAC Name

(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecane

Traditional Name

(1R,4R,6R,10S)-4,12,12-trimethyl-9-methylidene-5-oxatricyclo[8.2.0.0^{4,6}]dodecane

CAS Registry Number

Not Available

SMILES

[H]C([H])=C1C([H])([H])C([H])([H])[C@@]2([H])O[C@]2(C([H])([H])[H])C([H])([H])C([H])([H])[C@]2([H])[C@]1([H])C([H])([H])C2(C([H])([H])[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C15H24O/c1-10-5-6-13-15(4,16-13)8-7-12-11(10)9-14(12,2)3/h11-13H,1,5-9H2,2-4H3/t11-,12-,13-,15-/m1/s1

InChI Key

NVEQFIOZRFFVFW-RGCMKSIDSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Abies cilicica	LOTUS Database	35616633
Abutilon indicum	Plant	KNApSAcK
Acamptopappus sphaerocephalus	LOTUS Database	35616633
Achillea coarctata	LOTUS Database	35616633
Achillea millefolium	LOTUS Database	35616633
Achillea nobilis	LOTUS Database	35616633
Achyrospermum africanum	LOTUS Database	35616633
Acorus calamus	LOTUS Database	35616633
Acorus calanus L.	KNApSAcK Database	22123792
Aegle marmelos	LOTUS Database	35616633
Aframomum angustifolium	LOTUS Database	35616633
Aframomum melegueta	LOTUS Database	35616633
Aframomum sceptrum	LOTUS Database	35616633
Agastache foeniculum	LOTUS Database	35616633
Agastache rugosa	LOTUS Database	35616633
Agatis ovata	-	KNApSAcK
Ageratina adenophora	Plant	KNApSAcK
Ageratina conyzoides	Plant	KNApSAcK
Ageratina ligustrina	LOTUS Database	35616633
Ageratum conyzoides	LOTUS Database	35616633
Aglaia foveolata	KNApSAcK Database	22123792
Aglaia leucophylla	LOTUS Database	35616633
Ajania fruticulosa	KNApSAcK Database	22123792
Aloysia gratissima	LOTUS Database	35616633
Aloysia triphylla	LOTUS Database	35616633
Alpinia chinensis	LOTUS Database	35616633
Alpinia galanga	LOTUS Database	35616633
Alpinia latilabris	LOTUS Database	35616633
Alpinia zerumbet	LOTUS Database	35616633
Ambrosia artemisiifolia	KNApSAcK Database	22123792
Ambrosia trifida	KNApSAcK Database	22123792
Amyris elemifera	LOTUS Database	35616633
Annona squamosa	LOTUS Database	35616633
Anthemis aciphylla	LOTUS Database	35616633
Anthemis aciphylla BOISS.var.discoidea BOISS	KNApSAcK Database	22123792
Artabotrys hexapetalus	LOTUS Database	35616633
Artabotrys stenopetalus	KNApSAcK Database	22123792
Artabotrys uncinatus	KNApSAcK Database	22123792
Artemisia absinthium	LOTUS Database	35616633
Artemisia annua	LOTUS Database	35616633
Artemisia annua L.cultivar Jwarharti	KNApSAcK Database	22123792
Artemisia arborescens	LOTUS Database	35616633
Artemisia lagocephala	LOTUS Database	35616633
Artemisia rubripes	LOTUS Database	35616633
Artemisia santolinifolia	LOTUS Database	35616633
Artemisia thuscula	LOTUS Database	35616633
Artemisia vulgaris	KNApSAcK Database	22123792
Aster scaber	LOTUS Database	35616633
Atalantia guillauminii	KNApSAcK Database	22123792
Austrobaileya scandens	LOTUS Database	35616633
Austrobrickellia patens	LOTUS Database	35616633
Austroeupatorium inulaefolium	LOTUS Database	35616633
Austromyrtus dulcis	LOTUS Database	35616633
Baccharis coridifolia	LOTUS Database	35616633
Baccharis dracunculifolia	KNApSAcK Database	22123792
Baccharis linearifolia	LOTUS Database	35616633
Baccharis sarothroides	LOTUS Database	35616633
Baeckea frutescens	-	KNApSAcK
Beilschmiedia erythrophloia	LOTUS Database	35616633
Bethencourtia palmensis	LOTUS Database	35616633
Betula pendula	LOTUS Database	35616633
Betula platyphylla	LOTUS Database	35616633
Betula pubescens	KNApSAcK Database	22123792
Bidens graveolens	LOTUS Database	35616633
Blepharispermum zanguebaricum	LOTUS Database	35616633
Blepharocalyx tweediei	LOTUS Database	35616633
Boenninghausenia albiflora	LOTUS Database	35616633
Boswellia sacra	LOTUS Database	35616633
Bothriochloa bladhii	LOTUS Database	35616633
Bouchardatia neurococca	LOTUS Database	35616633
Brickellia californica	LOTUS Database	35616633
Brickellia laciniata	LOTUS Database	35616633
Bunium persicum	LOTUS Database	35616633
Buphthalmum salicifolium	LOTUS Database	35616633
Bupleurum acutifolium	LOTUS Database	35616633
Caesalpinia pulcherrima	KNApSAcK Database	22123792
Calamintha ashei	LOTUS Database	35616633
Calamintha nepeta subsp. glandulosa	KNApSAcK Database	22123792
Canella winterana	LOTUS Database	35616633
Cannabis sativa	CannabisDB	Not Available
Cantinoa mutabilis	LOTUS Database	35616633
Capillipedium parviflorum	KNApSAcK Database	22123792
Centaurea atropurpurea	KNApSAcK Database	22123792
Centella asiatica	LOTUS Database	35616633
Cephaelis ipecacuanha	LOTUS Database	35616633
Cephalosporium aphidicola ,	JEOL database	Choudhary, M. I., et al, J. Nat. Prod. 69, 1429 (2006)
Chiliadenus lopadusanus	LOTUS Database	35616633
Chromolaena laevigata	LOTUS Database	35616633
Chromolaena odorata	LOTUS Database	35616633
Cinnamomum camphora	KNApSAcK Database	22123792
Cinnamomum parthenoxylon	LOTUS Database	35616633
Cinnamomum sieboldii	LOTUS Database	35616633
Cinnamomum subavenium	Plant	KNApSAcK
Cinnamomum subavenium MIQ.	KNApSAcK Database	22123792
Cinnamomum verum	LOTUS Database	35616633
Cistus albidus	KNApSAcK Database	22123792
Cistus incanus	LOTUS Database	35616633
Citrus limon	LOTUS Database	35616633
Citrus medica	LOTUS Database	35616633
Citrus paradise x Poncirus trifoliata	KNApSAcK Database	22123792
Citrus trifoliata	Plant	KNApSAcK
Cleistopholis patens	LOTUS Database	35616633
Cleonia lusitanica	LOTUS Database	35616633
Clinopodium brownei	LOTUS Database	35616633
Clinopodium grandiflorum	LOTUS Database	35616633
Conyza aegyptiaca	LOTUS Database	35616633
Conyza filaginoides	LOTUS Database	35616633
Conyza scabrida	LOTUS Database	35616633
Conyza sumatrensis	LOTUS Database	35616633
Copaifera guianensis	KNApSAcK Database	22123792
Copaifera langsdorffii	KNApSAcK Database	22123792
Copaifera multijuga	KNApSAcK Database	22123792
Cratoxylum cochinchinense	LOTUS Database	35616633
Croton cortesianus	LOTUS Database	35616633
Croton ovalifolius	LOTUS Database	35616633
Cunila angustifolia	KNApSAcK Database	22123792
Cunila microcephala	LOTUS Database	35616633
Cupressus sempervirens	LOTUS Database	35616633
Curcuma aeruginosa	KNApSAcK Database	22123792
Curcuma amanda Roxb	KNApSAcK Database	22123792
Curcuma aromatica	KNApSAcK Database	22123792
Curcuma kwangsiensis	KNApSAcK Database	22123792
Curcuma longa	KNApSAcK Database	22123792
Curcuma mangga	KNApSAcK Database	22123792
Curcuma phaeocaulis	KNApSAcK Database	22123792
Curcuma pierreana	LOTUS Database	35616633
Curcuma wenyujin	KNApSAcK Database	22123792
Curcuma xanthorrhiza	KNApSAcK Database	22123792
Cyathocline purpurea	KNApSAcK Database	22123792
Cymbopogon flexuosus	LOTUS Database	35616633
Cymbopogon martinii	LOTUS Database	35616633
Cyperus rotundus	LOTUS Database	35616633
Dacrydium cupressinum	LOTUS Database	35616633
Dacrydium nausoriense	LOTUS Database	35616633
Dendropanax trifidus	LOTUS Database	35616633
Dittrichia graveolens	KNApSAcK Database	22123792
Duguetia confinis	LOTUS Database	35616633
Dumortiera hirsuta	LOTUS Database	35616633
Echinophora tournefortii	LOTUS Database	35616633
Elsholtzia ciliata	LOTUS Database	35616633
Erica manipuliflora	LOTUS Database	35616633
Eryngium foetidum	LOTUS Database	35616633
Eucalyptus camaldulensis	LOTUS Database	35616633
Eucalyptus dealbata	LOTUS Database	35616633
Eucalyptus globulus	LOTUS Database	35616633
Eugenia caryophyllata	KNApSAcK Database	22123792
Eupatorium altissimum	LOTUS Database	35616633
Flourensia cernua	LOTUS Database	35616633
Friesodielsia velutina	LOTUS Database	35616633
Frullania probosciphora	KNApSAcK Database	22123792
Geigeria plumosa	LOTUS Database	35616633
Greenmaniella resinosa	LOTUS Database	35616633
Grindelia scorzonerifolia	LOTUS Database	35616633
Guatteria blepharophylla	LOTUS Database	35616633
Gundelia tournefortii	LOTUS Database	35616633
Gynura japonica	LOTUS Database	35616633
Haplopappus glutinosus	LOTUS Database	35616633
Hedychium spicatum	LOTUS Database	35616633
Helichrysum kraussii	LOTUS Database	35616633
Hesperozygis rhododon	LOTUS Database	35616633
Hexalobus monopetalus	LOTUS Database	35616633
Houttuynia cordata	KNApSAcK Database	22123792
Hugonia castaneifolia	LOTUS Database	35616633
Humulus lupulus	LOTUS Database	35616633
Hymenocrater incanus	LOTUS Database	35616633
Hypericum hircinum	LOTUS Database	35616633
Hypericum lysimachioides	LOTUS Database	35616633
Hypericum triquetrifolium	LOTUS Database	35616633
Hyptis suaveolens	LOTUS Database	35616633
Hyssopus officinalis L.	LOTUS Database	35616633
Inula helenium	LOTUS Database	35616633
Juniperus chinensis	LOTUS Database	35616633
Juniperus communis	LOTUS Database	35616633
Lantana xenica	LOTUS Database	35616633
Laurus nobilis	LOTUS Database	35616633
Lavandin abrialis	-	KNApSAcK
Lavandula angustifolia	KNApSAcK Database	22123792
Lavandula bipinnata	KNApSAcK Database	22123792
Lavandula canarien-sis	KNApSAcK Database	22123792
Lavandula gibsoni	KNApSAcK Database	22123792
Lavandula latifolia	LOTUS Database	35616633
Lavandula multifida	KNApSAcK Database	22123792
Lavandula stoechas	KNApSAcK Database	22123792
Lepechinia chamaedryoides	LOTUS Database	35616633
Lepechinia floribunda	LOTUS Database	35616633
Leplaea cedrata	LOTUS Database	35616633
Leptospermum scoparium	KNApSAcK Database	22123792
Lessingianthus mollissimus	LOTUS Database	35616633
Lindera neesiana	LOTUS Database	35616633
Lippia javanica	KNApSAcK Database	22123792
Lippia ukambensis	KNApSAcK Database	22123792
Liquidambar formosana	LOTUS Database	35616633
Litsea monopetala	KNApSAcK Database	22123792
Magnolia obovata	LOTUS Database	35616633
Marchantia paleacea	LOTUS Database	35616633
Matricaria chamomilla	LOTUS Database	35616633
Melaleuca leucadendra L.	KNApSAcK Database	22123792
Melaleuca quinquenervia	LOTUS Database	35616633
Melaleuca styphelioides	LOTUS Database	35616633
Melampodium divaricatum	LOTUS Database	35616633
Melissa officinalis	LOTUS Database	35616633
Mentha aquatica	LOTUS Database	35616633
Mentha arvensis	Plant	KNApSAcK
Mentha arvensis L.	KNApSAcK Database	22123792
Mentha piperita	KNApSAcK Database	22123792
Mentha x piperita	Plant	KNApSAcK
Michelia alba	LOTUS Database	35616633
Micromeria biflora	LOTUS Database	35616633
Micromeria cristata	LOTUS Database	35616633
Monanthotaxis capea	LOTUS Database	35616633
Monocyclanthus vignei	LOTUS Database	35616633
Mosla cavaleriei	LOTUS Database	35616633
Murraya exotica	KNApSAcK Database	22123792
Murraya koenigii	LOTUS Database	35616633
Murraya paniculata	KNApSAcK Database	22123792
Myrtus communis	KNApSAcK Database	22123792
Nardophyllum lanatum	LOTUS Database	35616633
Nelumbo lutea	LOTUS Database	35616633
Neolitsea hiiranensis	LOTUS Database	35616633
Neolitsea sericea	KNApSAcK Database	22123792
Nepeta cataria	LOTUS Database	35616633
Nepeta nuda	LOTUS Database	35616633
Nepeta racemosa	LOTUS Database	35616633
Ocimum tenuiflorum	LOTUS Database	35616633
Olearia phlogopappa	LOTUS Database	35616633
Origanum acutidens	LOTUS Database	35616633
Origanum adanense	LOTUS Database	35616633
Origanum cordifolium	LOTUS Database	35616633
Origanum dictamnus	LOTUS Database	35616633
Origanum hypericifolium	LOTUS Database	35616633
Origanum laevigatum	LOTUS Database	35616633
Origanum majorana	LOTUS Database	35616633
Origanum vulgare	Plant	KNApSAcK
Osteospermum corymbosum	LOTUS Database	35616633
Ozothamnus retusus	LOTUS Database	35616633
Pelargonium endlicherianum	LOTUS Database	35616633
Pelargonium quercifolium	LOTUS Database	35616633
Perilla frutescens	LOTUS Database	35616633
Persicaria minor	LOTUS Database	35616633
Persicaria pubescens	LOTUS Database	35616633
Petasites albus	KNApSAcK Database	22123792
Petasites hybridus	KNApSAcK Database	22123792
Phagnalon sordidum	KNApSAcK Database	22123792
Phlomis lanata	LOTUS Database	35616633
Pimenta dioica	LOTUS Database	35616633
Pimenta racemosa	LOTUS Database	35616633
Pimpinella serbica	LOTUS Database	35616633
Pinus densiflora	LOTUS Database	35616633
Pinus halepensis	KNApSAcK Database	22123792
Pinus massoniana	LOTUS Database	35616633
Pinus merkusii	LOTUS Database	35616633
Pinus mugo subsp. Mugo	KNApSAcK Database	22123792
Pinus sibirica	KNApSAcK Database	22123792
Piper aduncum	LOTUS Database	35616633
Piper arboreum	Plant	KNApSAcK
Piper auritum	LOTUS Database	35616633
Piper fimbriulatum	Plant	KNApSAcK
Piper gaudichaudianum	LOTUS Database	35616633
Piper guineense	LOTUS Database	35616633
Piper marginatum	LOTUS Database	35616633
Piper mullesua	LOTUS Database	35616633
Piper nigrum	KNApSAcK Database	22123792
Piper nigrum L.	Plant	KNApSAcK
Piper obliquum	LOTUS Database	35616633
Piper philippinum	KNApSAcK Database	22123792
Piper retrofractum	LOTUS Database	35616633
Plagiochasma rupestre	LOTUS Database	35616633
Plectranthus fruticosus	LOTUS Database	35616633
Plectranthus marrubioides	KNApSAcK Database	22123792
Polygala senega	LOTUS Database	35616633
Polygonum minus	KNApSAcK Database	22123792
Poncirus trifoliata	KNApSAcK Database	22123792
Prangos tschimganica	KNApSAcK Database	22123792
Psiadia altissima	LOTUS Database	35616633
Psidium guajava	KNApSAcK Database	22123792
Pteronia camphorata	LOTUS Database	35616633
Rhanterium epapposum	LOTUS Database	35616633
Rhaponticum carthamoides	KNApSAcK Database	22123792
Rhynchosia minima	KNApSAcK Database	22123792
Rosmarinus officinalis	KNApSAcK Database	22123792
Rudbeckia subtomentosa	LOTUS Database	35616633
Salvia absconditiflora	LOTUS Database	35616633
Salvia caespitosa	LOTUS Database	35616633
Salvia cuspidata	LOTUS Database	35616633
Salvia cyanescens	LOTUS Database	35616633
Salvia fruticosa	LOTUS Database	35616633
Salvia hydrangea	Plant	KNApSAcK
Salvia mirzayanii	Plant	KNApSAcK
Salvia officinalis	LOTUS Database	35616633
Salvia rosmarinus	Plant	KNApSAcK
Salvia santolinifolia	Plant	KNApSAcK
Salvia sclarea	LOTUS Database	35616633
Salvia staminea	LOTUS Database	35616633
Salvia vermifolia	LOTUS Database	35616633
Salvia x sylvestris	LOTUS Database	35616633
Sandoricum koetjape	LOTUS Database	35616633
Santolina corsica Jordan et Fourr	KNApSAcK Database	22123792
Santolina rosmarinifolia	LOTUS Database	35616633
Satureja spicigera	LOTUS Database	35616633
Satureja subspicata	KNApSAcK Database	22123792
Scandix australis	LOTUS Database	35616633
Schinus molle	LOTUS Database	35616633
Sclerocarpus sessilifolius	LOTUS Database	35616633
Senecio brasiliensis	LOTUS Database	35616633
Senecio chionophilus	KNApSAcK Database	22123792
Senecio crassissimus	LOTUS Database	35616633
Senecio doria	LOTUS Database	35616633
Senecio vulgaris	KNApSAcK Database	22123792
Serratula wolfi	KNApSAcK Database	22123792
Shorea robusta	LOTUS Database	35616633
Sideritis tragoriganum	LOTUS Database	35616633
Smallanthus maculatus	LOTUS Database	35616633
Solanum tuberosum	LOTUS Database	35616633
Spondias mombin	LOTUS Database	35616633
Stachys recta	LOTUS Database	35616633
Steganotaenia araliacea	LOTUS Database	35616633
Stevia rebaudiana	LOTUS Database	35616633
Syzygium aromaticum	Plant	KNApSAcK
Syzygium formosanum	LOTUS Database	35616633
Syzygium nervosum	LOTUS Database	35616633
Tabernaemontana catharinensis	Plant	KNApSAcK
Tagetes patula	LOTUS Database	35616633
Taiwania cryptomerioides	KNApSAcK Database	22123792
Tanacetum macrophyllum	KNApSAcK Database	22123792
Tanacetum parthenium	LOTUS Database	35616633
Tarchonanthus camphoratus	KNApSAcK Database	22123792
Tasmannia lanceolata	LOTUS Database	35616633
Taxus wallichiana	Plant	KNApSAcK
Tessaria fastigiata	LOTUS Database	35616633
Teucrium pestalozzae	LOTUS Database	35616633
Teucrium polium	LOTUS Database	35616633
Thapsia villosa	LOTUS Database	35616633
Thuja occidentalis	LOTUS Database	35616633
Thymbra spicata	LOTUS Database	35616633
Thymus broussonetti	Plant	KNApSAcK
Thymus eigii	LOTUS Database	35616633
Thymus longicaulis	LOTUS Database	35616633
Thymus maroccanus	Plant	KNApSAcK
Thymus praecos	Plant	KNApSAcK
Thymus revolutus	LOTUS Database	35616633
Thymus vulgaris	KNApSAcK Database	22123792
Thymus zygioides	LOTUS Database	35616633
Tipuana tipu	KNApSAcK Database	22123792
Tithonia diversifolia	LOTUS Database	35616633
Tordylium apulum	LOTUS Database	35616633
Trichilia claussenii	LOTUS Database	35616633
Trichilia lepidota	LOTUS Database	35616633
Tripetalum cymosum	LOTUS Database	35616633
Turnera diffusa	Plant	KNApSAcK
Ursinia speciosa	LOTUS Database	35616633
Uvaria chamae	LOTUS Database	35616633
Valeriana officinalis	LOTUS Database	35616633
Verbena officinalis	Plant	KNApSAcK
Veronica spicata	Plant	KNApSAcK
Vitex agnus-castus	LOTUS Database	35616633
Vitex limonifolia	LOTUS Database	35616633
Waitzia acuminata	LOTUS Database	35616633
Xylopia cayennensis	KNApSAcK Database	22123792
Xylopia emarginata	KNApSAcK Database	22123792
Xylopia parviflora	KNApSAcK Database	22123792
Xylopia rubescens	KNApSAcK Database	22123792
Xylopia sericea	KNApSAcK Database	22123792
Zanthoxylum ailanthoides	LOTUS Database	35616633
Zanthoxylum armatum	KNApSAcK Database	22123792
Zanthoxylum decaryi	KNApSAcK Database	22123792
Zanthoxylum simulans	LOTUS Database	35616633
Zingiber cassumunar Roxb.	KNApSAcK Database	22123792
Zingiber montanum	Plant	KNApSAcK
Zingiber zerumbet	LOTUS Database	35616633
Zingiber zerumbet Smith	KNApSAcK Database	22123792
Zinnia elegans	LOTUS Database	35616633
Ziziphora hispanica	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Caryophyllane sesquiterpenoid
Sesquiterpenoid
Oxacycle
Organoheterocyclic compound
Ether
Oxirane
Dialkyl ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aliphatic heteropolycyclic compound

Molecular Framework

Aliphatic heteropolycyclic compounds

External Descriptors

epoxide (CHEBI:67818 )
Caryophyllane sesquiterpenoids (C16908 )

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	60.00 to 62.00 °C. @ 760.00 mm Hg	The Good Scents Company Information System
Boiling Point	279.68 °C. @ 760.00 mm Hg (est)	The Good Scents Company Information System
Water Solubility	2.21 mg/L @ 25 °C (est)	The Good Scents Company Information System
LogP	4.429 (est)	The Good Scents Company Information System

Predicted Properties

Property	Value	Source
logP	3.49	ALOGPS
logP	3.62	ChemAxon
logS	-4.5	ALOGPS
pKa (Strongest Basic)	-4.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	12.53 Å²	ChemAxon
Rotatable Bond Count	0	ChemAxon
Refractivity	66.21 m³·mol⁻¹	ChemAxon
Polarizability	26.47 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	Yes	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00012483

Chemspider ID

1379451

KEGG Compound ID

C16908

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

rw1023631

References

General References

Choudhary, M. I., et al. (2006). Choudhary, M. I., et al, J. Nat. Prod. 69, 1429 (2006) . J. Nat. Prod..

Showing NP-Card for (-)-caryophyllene oxide (NP0032438)

MOL for NP0032438 ((-)-caryophyllene oxide)

3D MOL for NP0032438 ((-)-caryophyllene oxide)

3D SDF for NP0032438 ((-)-caryophyllene oxide)

3D-SDF for NP0032438 ((-)-caryophyllene oxide)

PDB for NP0032438 ((-)-caryophyllene oxide)

3D PDB for NP0032438 ((-)-caryophyllene oxide)

SMILES for NP0032438 ((-)-caryophyllene oxide)

INCHI for NP0032438 ((-)-caryophyllene oxide)

Structure for NP0032438 ((-)-caryophyllene oxide)

3D Structure for NP0032438 ((-)-caryophyllene oxide)