Summary

IMPPAT Phytochemical identifier: IMPHY013249

Phytochemical name: 8,4'-Dihydroxyisoflavone

Synonymous chemical names:
8,4'-dihydroxyisoflavone

External chemical identifiers:
CID:15126653

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Chemical structure information

SMILES:
Oc1ccc(cc1)c1coc2c(c1=O)cccc2O

InChI:
InChI=1S/C15H10O4/c16-10-6-4-9(5-7-10)12-8-19-15-11(14(12)18)2-1-3-13(15)17/h1-8,16-17H

InChIKey:
GHZIEKMHELHOCL-UHFFFAOYSA-N

DeepSMILES:
Occcccc6))ccoccc6=O))cccc6O

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2ccccc2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCCCC2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Isoflav-2-enes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 0.975

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Chemical structure download