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Showing NP-Card for (+)-taxifolin (NP0049991)

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Record Information
Version2.0
Created at2022-03-17 21:21:25 UTC
Updated at2022-03-17 21:21:25 UTC
NP-MRD IDNP0049991
Secondary Accession NumbersNone
Natural Product Identification
Common Name(+)-taxifolin
Description (+)-taxifolin is found in Abies nephrolepis, Acacia carnei, Acacia carneorum, Acacia catechu, Acacia mearnsii, Albizia julibrissin, Allium cepa, Anastatica hierochuntica, Anaxagorea luzonensis, Anaxagorea luzonensis A.GRAY, Andira inermis, Anigozanthos pulcherrimus, Anigozanthos rufus, Annona ambotay, Anthemis altissima, Antirrhinum majus, Arabidopsis thaliana, Arachis hypogaea, Artabotrys hexapetalus, Asparagus officinalis, Austrocedrus chilensis, Bauhinia purpurea, Berchemia formosana, Berchemia racemosa, Betula platyphylla, Brassica carinata, Brassica carinata Y line, Brucea javanica, Camellia reticulata, Camellia sinensis, Capsicum annuum, Cedrus deodara, Cercidiphyllum japonicum, Cleistopholis glauca, Coleus aromaticus, Colophospermum mopane, Cota altissima, Crataegus flava, Crataegus sinaica, Crotalaria assamica, Crotalaria nitens, Crotalaria pallida, Cryptomeria japonica, Cuscuta reflexa, Daucus carota, Dillenia spp., Dioscorea alata, Drimys winteri, Entada phaseoloides, Ephedra sinica, Equisetum arvense, Equsetum arvense, Erythroxylum coca, Erythroxylum novogranatense, Erythroxylum rufum, Eucalyptus globulus, Euscaphis konishii, Ficus cordata, Ficus pumila, Pulicaria undulata, Garcinia epunctata, Garcinia mangostana, Genista corsica, Gentiana lutea L. var. aurantiaca, Ginkgo biloba, Gongora quinquenervis, Heliotropium strigosum, Hylocereus undatus, Hypericum japonicum, Ichthyothere terminalis, Juglans mandshurica, Juniperus chinensis, Kadsura heteroclita, Larix decidua, Larix gmelinii, Larix laricina, Larix sibirica, Lippia origanoides, Lippia sidoides, Lotus pedunculatus, Maclura cochinchinensis, Magnolia denudata, Magnolia liliiflora, Matthiola incana, Medicago truncatula, Melanorrhoea spp., Mimusops elengi, Momordica charantia, Morus alba, Nelumbo nucifera, Neolitsea konishii, Neolitsea parvigemma, Neomoorea wallisii, Nothofagus spp., Nympaea spp., Opuntia ficus-indica, Opuntia ficus-indica var.saboten, Origanum akhadarense, Origanum boissieri, Origanum dictamnus, Origanum hypercifolium, Origanum micranthum, Origanum vulgare, Pelargonium reniforme, Persicaria hydropiper, Polygonum lapathifolium, Petunia hybrida, Petunia hybrida, Phoebe formosana, Picea abies, Picea jezoensis, Picea obovata, Pinus contorta, Pinus massoniana, Pinus ponderosa, Pinus roxburghii, Pinus sibirica, Pinus sylvestris, Pistacia chinensis, Pittocaulon praecox, Pittocaulon velatum, Platycodon grandiflorum, Podocarpus nivalis, Polygala caudata, Polygonum amphibium, Polygonum aviculare, Polygonum bistorta, Polygonum convolvulus, Polygonum hydropiper, Polygonum mite, Polygonum nodosum, Polygonum orientale, Polygonum persicaria, Prunus avium, Prunus cerasoides, Prunus grayana, Prunus prostrata, Pseudotsuga menziesii, Pterodon emarginatus, Punica granatum L., Pyracantha coccinea, Rhamnus davurica, Rhamnus disperma, Rhamnus lycioides, Rhamnus pallasii, Rhododendron brachycarpum ssp.brachycarpum, Rhododendron catawbiense, Rhododendron Cunningham's white, Rhododendron decorum, Rhododendron degronianum ssp. Heptamerum var. hondoense, Rhododendron dichroanthum ssp.scyphocalyx, Rhododendron fortunei, Rhododendron insigne, Rhododendron kaempferi, Rhododendron ponticum, Rhododendron praevernum, Rhododendron smirnowii, Rhododendron spinuliferum, Rhododendron spp., Rhododendron suaveolens, Rhododendron ungernii, Ribes nigrum, Rosa canina, Salix caprea, Salix purpurea, Salix sachalinensis, Sicana odorifera, Silybum marianum, Smilax corbularia, Smilax glabra, Sophora flavescens, Sorghum bicolor, Spatholobus suberectus Dunn, Streptomyces albidoflavus, Sophora japonica, Taxus chinensis, Taxus mairei, Thymus vulgaris, Trachelospermum jasminoides, Xanthoceras sorbifolia, Zea mays, Ziziphus jujuba and Ziziphus spina-christi.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0049991 ((+)-taxifolin)


  Mrv1652309272007472D          

 22 24  0  0  0  0            999 V2000
 9999.6614 9997.7072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0876 9998.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.805210002.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.232110001.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2367 9997.7072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.807810000.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.517710001.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.803210001.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.088710001.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.088610000.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.8031 9999.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.517710000.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.662310000.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9478 9999.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9478 9998.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6623 9998.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3768 9998.9508    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.3768 9999.7759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.236810000.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5221 9999.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5221 9998.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2367 9998.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 20  6  1  0  0  0  0
 22  5  1  0  0  0  0
  8  3  1  0  0  0  0
  7  4  1  0  0  0  0
  1 16  2  0  0  0  0
 18 10  1  6  0  0  0
 17  2  1  1  0  0  0
 14 19  2  0  0  0  0
 22 15  2  0  0  0  0
M  END
Download

3D MOL for NP0049991 ((+)-taxifolin)

Download
3D SDF for NP0049991 ((+)-taxifolin)

  Mrv1652309272007472D          

 22 24  0  0  0  0            999 V2000
 9999.6614 9997.7072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.0876 9998.5361    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10001.805210002.2527    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10003.232110001.4279    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2367 9997.7072    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9996.807810000.1927    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
10002.517710001.0171    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.803210001.4295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.088710001.0170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.088610000.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10001.8031 9999.7795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10002.517710000.1921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.662310000.1884    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9478 9999.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.9478 9998.9508    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9999.6623 9998.5384    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
10000.3768 9998.9508    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
10000.3768 9999.7759    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
 9998.236810000.1884    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5221 9999.7758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9997.5221 9998.9507    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
 9998.2367 9998.5382    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 12  7  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 20  6  1  0  0  0  0
 22  5  1  0  0  0  0
  8  3  1  0  0  0  0
  7  4  1  0  0  0  0
  1 16  2  0  0  0  0
 18 10  1  6  0  0  0
 17  2  1  1  0  0  0
 14 19  2  0  0  0  0
 22 15  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0049991

> <DATABASE_NAME>
NP-MRD

> <SMILES>
O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1

> <INCHI_KEY>
CXQWRCVTCMQVQX-LSDHHAIUSA-N

> <FORMULA>
C15H12O7

> <MOLECULAR_WEIGHT>
304.2516

> <EXACT_MASS>
304.058302738

> <JCHEM_ACCEPTOR_COUNT>
7

> <JCHEM_ATOM_COUNT>
34

> <JCHEM_AVERAGE_POLARIZABILITY>
29.031784137700317

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one

> <ALOGPS_LOGP>
1.07

> <JCHEM_LOGP>
1.8163842679999997

> <ALOGPS_LOGS>
-2.42

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.00135173078782

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.742826994062549

> <JCHEM_PKA_STRONGEST_BASIC>
-4.04060800501074

> <JCHEM_POLAR_SURFACE_AREA>
127.45000000000002

> <JCHEM_REFRACTIVITY>
74.60890000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.16e+00 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(+)-taxifolin

> <JCHEM_VEBER_RULE>
0

$$$$

Download
3D-SDF for NP0049991 ((+)-taxifolin)
Download
PDB for NP0049991 ((+)-taxifolin)
HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  O   UNK     0    8666.0358662.387   0.000  0.00  0.00           O+0
HETATM    2  O   UNK     0    8668.6978663.934   0.000  0.00  0.00           O+0
HETATM    3  O   UNK     0    8670.0368670.872   0.000  0.00  0.00           O+0
HETATM    4  O   UNK     0    8672.7008669.332   0.000  0.00  0.00           O+0
HETATM    5  O   UNK     0    8663.3758662.387   0.000  0.00  0.00           O+0
HETATM    6  O   UNK     0    8660.7088667.026   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0    8671.3668668.565   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0    8670.0338669.335   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0    8668.6998668.565   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0    8668.6998667.025   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0    8670.0328666.255   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0    8671.3668667.025   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0    8666.0368667.018   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0    8664.7038666.248   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0    8664.7038664.708   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0    8666.0368663.938   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0    8667.3708664.708   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0    8667.3708666.248   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0    8663.3758667.018   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0    8662.0418666.248   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0    8662.0418664.708   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0    8663.3758663.938   0.000  0.00  0.00           C+0
CONECT    1   16                                                            
CONECT    2   17                                                            
CONECT    3    8                                                            
CONECT    4    7                                                            
CONECT    5   22                                                            
CONECT    6   20                                                            
CONECT    7    8   12    4                                                  
CONECT    8    7    9    3                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   18                                                  
CONECT   11   10   12                                                       
CONECT   12   11    7                                                       
CONECT   13   14   18                                                       
CONECT   14   15   13   19                                                  
CONECT   15   14   16   22                                                  
CONECT   16   15   17    1                                                  
CONECT   17   16   18    2                                                  
CONECT   18   17   13   10                                                  
CONECT   19   20   14                                                       
CONECT   20   19   21    6                                                  
CONECT   21   20   22                                                       
CONECT   22   21    5   15                                                  
MASTER        0    0    0    0    0    0    0    0   22    0   48    0
END

Download
3D PDB for NP0049991 ((+)-taxifolin)
Download
SMILES for NP0049991 ((+)-taxifolin)
O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1
Download
INCHI for NP0049991 ((+)-taxifolin)
InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
Download
View in JSmol
Synonyms
ValueSource
(+)-DihydroquercetinChEBI
(2R,3R)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4H-1-benzopyran-4-oneChEBI
(2R,3R)-DihydroquercetinChEBI
(2R-trans)-2-(3,4-Dihydroxyphenyl)-2,3-dihydro-3,5,7-trihydroxy-4-benzopyroneChEBI
DihydroquercetinChEBI
trans-DihydroquercetinChEBI
(+)-TaxifolinKegg
2,3-trans-DihydroquercetinChEBI
TaxifolinChEBI
(+)-(2R,3R)-DihydroquercetinPhytoBank
(+)-trans-TaxifolinPhytoBank
(2R,3R)-(+)-TaxifolinPhytoBank
(2R,3R)-3,3',4',5,7-PentahydroxyflavanonePhytoBank
(2R,3R)-3,3’,4’,5,7-PentahydroxyflavanonePhytoBank
2,3-DihydroquercetinPhytoBank
3,5,7,3',4'-PentahydroxyflavanonePhytoBank
3,5,7,3’,4’-PentahydroxyflavanonePhytoBank
DiquertinPhytoBank
DistylinPhytoBank
FlamenaPhytoBank
Flamena DPhytoBank
JikuberuchinPhytoBank
LariksinPhytoBank
LavitolPhytoBank
TaxifoliolPhytoBank
Chemical FormulaC15H12O7
Average Mass304.2516 Da
Monoisotopic Mass304.05830 Da
IUPAC Name(2R,3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-1-benzopyran-4-one
Traditional Name(+)-taxifolin
CAS Registry Number480-18-2
SMILES
O[C@@H]1[C@H](OC2=CC(O)=CC(O)=C2C1=O)C1=CC(O)=C(O)C=C1
InChI Identifier
InChI=1S/C15H12O7/c16-7-4-10(19)12-11(5-7)22-15(14(21)13(12)20)6-1-2-8(17)9(18)3-6/h1-5,14-19,21H/t14-,15+/m0/s1
InChI KeyCXQWRCVTCMQVQX-LSDHHAIUSA-N
Experimental Spectra
Not Available
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Abies nephrolepisLOTUS Database
Acacia carneiPlant
Acacia carneorumLOTUS Database
Acacia catechuPlant
Acacia mearnsiiLOTUS Database
Albizia julibrissinLOTUS Database
Allium cepaPlant
Anastatica hierochunticaLOTUS Database
Anaxagorea luzonensisLOTUS Database
Anaxagorea luzonensis A.GRAYPlant
Andira inermisLOTUS Database
Anigozanthos pulcherrimusPlant
Anigozanthos rufusPlant
Annona ambotayLOTUS Database
Anthemis altissimaPlant
Antirrhinum majusPlant
Arabidopsis thalianaPlant
Arachis hypogaeaLOTUS Database
Artabotrys hexapetalusLOTUS Database
Asparagus officinalisPlant
Austrocedrus chilensisLOTUS Database
Bauhinia purpureaLOTUS Database
Berchemia formosanaLOTUS Database
Berchemia racemosaLOTUS Database
Betula platyphyllaLOTUS Database
Brassica carinataLOTUS Database
Brassica carinata Y linePlant
Brucea javanicaLOTUS Database
Camellia reticulataLOTUS Database
Camellia sinensisPlant
Capsicum annuumPlant
Cedrus deodaraPlant
Cercidiphyllum japonicumLOTUS Database
Cleistopholis glaucaPlant
Coleus aromaticusPlant
Colophospermum mopanePlant
Cota altissimaLOTUS Database
Crataegus flavaLOTUS Database
Crataegus sinaicaLOTUS Database
Crotalaria assamicaPlant
Crotalaria nitensLOTUS Database
Crotalaria pallidaPlant
Cryptomeria japonicaLOTUS Database
Cuscuta reflexaLOTUS Database
Daucus carotaPlant
Dillenia spp.Plant
Dioscorea alataPlant
Drimys winteriLOTUS Database
Entada phaseoloidesLOTUS Database
Ephedra sinicaPlant
Equisetum arvenseLOTUS Database
Equsetum arvense-
Erythroxylum cocaPlant
Erythroxylum novogranatensePlant
Erythroxylum rufumLOTUS Database
Eucalyptus globulusLOTUS Database
Euscaphis konishiiPlant
Ficus cordataLOTUS Database
Ficus pumilaLOTUS Database
Fragaria x ananassaFooDB
Francoeuria undulataPlant
Garcinia epunctataPlant
Garcinia mangostanaPlant
Genista corsicaPlant
Gentiana lutea L. var. aurantiacaPlant
Ginkgo bilobaPlant
Gongora quinquenervisPlant
Heliotropium strigosumPlant
Hylocereus undatusLOTUS Database
Hypericum japonicumLOTUS Database
Ichthyothere terminalisLOTUS Database
Juglans mandshuricaPlant
Juniperus chinensisLOTUS Database
Kadsura heteroclitaPlant
Larix deciduaPlant
Larix gmeliniLOTUS Database
Larix laricinaLOTUS Database
Larix sibiricaLOTUS Database
Lippia origanoidesLOTUS Database
Lippia sidoidesPlant
Lotus pedunculatusLOTUS Database
Maclura cochinchinensisLOTUS Database
Magnolia denudataPlant
Magnolia liliifloraPlant
Matthiola incanaLOTUS Database
Medicago truncatulaPlant
Melanorrhoea spp.Plant
Mimusops elengiLOTUS Database
Momordica charantiaPlant
Morus albaLOTUS Database
Nelumbo nuciferaLOTUS Database
Neolitsea konishiiPlant
Neolitsea parvigemmaPlant
Neomoorea wallisiiPlant
Nothofagus spp.Plant
Nympaea spp.-
Opuntia ficus-indicaLOTUS Database
Opuntia ficus-indica var.sabotenPlant
Origanum akhadarensePlant
Origanum boissieriPlant
Origanum dictamnusLOTUS Database
Origanum hypercifoliumPlant
Origanum micranthumPlant
Origanum vulgarePlant
Pelargonium reniformePlant
Persicaria hydropiperLOTUS Database
Persicaria lapathifoliaPlant
Petunia hybridaLOTUS Database
Petunia x hybridaPlant
Phoebe formosanaLOTUS Database
Picea abiesPlant
Picea jezoensisLOTUS Database
Picea obovataPlant
Pinus contortaLOTUS Database
Pinus massonianaLOTUS Database
Pinus ponderosaLOTUS Database
Pinus roxburghiiPlant
Pinus sibiricaPlant
Pinus sylvestrisLOTUS Database
Pistacia chinensisPlant
Pittocaulon praecoxLOTUS Database
Pittocaulon velatumLOTUS Database
Platycodon grandiflorusPlant
Podocarpus nivalisLOTUS Database
Polygala caudataPlant
Polygonum amphibiumPlant
Polygonum avicularePlant
Polygonum bistortaPlant
Polygonum convolvulusPlant
Polygonum hydropiperPlant
Polygonum mitePlant
Polygonum nodosumPlant
Polygonum orientalePlant
Polygonum persicariaPlant
Prunus aviumPlant
Prunus cerasoidesLOTUS Database
Prunus grayanaLOTUS Database
Prunus prostrataLOTUS Database
Pseudotsuga menziesiiPlant
Pterodon emarginatusLOTUS Database
Punica granatumPlant
Pyracantha coccineaLOTUS Database
Rhamnus davuricaPlant
Rhamnus dispermaPlant
Rhamnus lycioidesLOTUS Database
Rhamnus pallasiiPlant
Rhododendron brachycarpum ssp.brachycarpumPlant
Rhododendron catawbiensePlant
Rhododendron Cunningham's whitePlant
Rhododendron decorumLOTUS Database
Rhododendron degronianum ssp. Heptamerum var. hondoensePlant
Rhododendron dichroanthum ssp.scyphocalyxPlant
Rhododendron fortuneiPlant
Rhododendron insignePlant
Rhododendron kaempferiPlant
Rhododendron ponticumPlant
Rhododendron praevernumPlant
Rhododendron smirnowiiPlant
Rhododendron spinuliferumLOTUS Database
Rhododendron spp.Plant
Rhododendron suaveolensLOTUS Database
Rhododendron ungerniiPlant
Ribes nigrumLOTUS Database
Rosa caninaLOTUS Database
Salix capreaPlant
Salix purpureaPlant
Salix sachalinensisLOTUS Database
Sicana odoriferaLOTUS Database
Silybum marianumLOTUS Database
Smilax corbulariaLOTUS Database
Smilax glabraPlant
Sophora flavescensPlant
Sorghum bicolorLOTUS Database
Spatholobus suberectusPlant
Streptomyces albidoflavusLOTUS Database
Styphnolobium japonicumPlant
Taxus chinensisPlant
Taxus maireiPlant
Thymus vulgarisPlant
Trachelospermum jasminoidesLOTUS Database
Xanthoceras sorbifoliumPlant
Zea mays L.Plant
Ziziphus jujubaLOTUS Database
Ziziphus spina-christiLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as flavanonols. Flavanonols are compounds containing a flavan-3-one moiety, with a structure characterized by a 2-phenyl-3,4-dihydro-2H-1-benzopyran bearing a hydroxyl group and a ketone at the carbon C2 and C3, respectively.
KingdomOrganic compounds  
Super ClassPhenylpropanoids and polyketides  
ClassFlavonoids  
Sub ClassFlavans  
Direct ParentFlavanonols  
Alternative Parents
Substituents
  • Hydroxyflavonoid
    • 

  • Flavanonol
    • 

  • 3'-hydroxyflavonoid
    • 

  • 3-hydroxyflavonoid
    • 

  • 4'-hydroxyflavonoid
    • 

  • 5-hydroxyflavonoid
    • 

  • 7-hydroxyflavonoid
    • 

  • Chromone
    • 

  • Benzopyran
    • 

  • 1-benzopyran
    • 

  • Chromane
    • 

  • Catechol
    • 

  • Aryl alkyl ketone
    • 

  • Aryl ketone
    • 

  • Phenol
    • 

  • 1-hydroxy-4-unsubstituted benzenoid
    • 

  • 1-hydroxy-2-unsubstituted benzenoid
    • 

  • Alkyl aryl ether
    • 

  • Monocyclic benzene moiety
    • 

  • Benzenoid
    • 

  • Vinylogous acid
    • 

  • Secondary alcohol
    • 

  • Ketone
    • 

  • Polyol
    • 

  • Organoheterocyclic compound
    • 

  • Oxacycle
    • 

  • Ether
    • 

  • Organooxygen compound
    • 

  • Organic oxide
    • 

  • Organic oxygen compound
    • 

  • Alcohol
    • 

  • Hydrocarbon derivative
    • 

  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP1.07ALOGPS
logP1.82ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)7.74ChemAxon
pKa (Strongest Basic)-4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count5ChemAxon
Polar Surface Area127.45 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity74.61 m³·mol⁻¹ChemAxon
Polarizability29.03 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDDB02224  
Phenol Explorer Compound IDNot Available
FoodDB IDFDB030075  
KNApSAcK IDC00000677  
Chemspider IDNot Available
KEGG Compound IDC01617  
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkTaxifolin  
METLIN IDNot Available
PubChem Compound439533  
PDB IDNot Available
ChEBI ID17948  
Good Scents IDNot Available
References
General ReferencesNot Available