Summary

IMPPAT Phytochemical identifier: IMPHY011489

Phytochemical name: 7,4'-Dihydroxyflavan

Synonymous chemical names:
4',7-dihydroxyflavan, 4',7-dihydroxyflavone, flavan,4',7-dihydroxy

External chemical identifiers:
CID:158280, ChEMBL:CHEMBL463168, ChEBI:2246, SureChEMBL:SCHEMBL6822846

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Chemical structure information

SMILES:
Oc1ccc(cc1)[C@@H]1CCc2c(O1)cc(cc2)O

InChI:
InChI=1S/C15H14O3/c16-12-5-1-10(2-6-12)14-8-4-11-3-7-13(17)9-15(11)18-14/h1-3,5-7,9,14,16-17H,4,8H2/t14-/m0/s1

InChIKey:
YXMLGIGHGPSEKA-AWEZNQCLSA-N

DeepSMILES:
Occcccc6))[C@@H]CCccO6)cccc6))O

Functional groups:
cO, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc(C2CCc3ccccc3O2)cc1

Scaffold Graph/Node level:
C1CCC(C2CCC3CCCCC3O2)CC1

Scaffold Graph level:
C1CCC(C2CCC3CCCCC3C2)CC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Hydroxyflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavans

NP-Likeness score: 1.268

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Chemical structure download