Summary

IMPPAT Phytochemical identifier: IMPHY013566

Phytochemical name: 2',4',5',7-Tetrahydroxyisoflavone

Synonymous chemical names:
2',4',5',7-tetrahydroxyisoflavone

External chemical identifiers:
CID:91665877

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Chemical structure information

SMILES:
Oc1ccc2c(c1)occ(c2=O)c1cc(O)c(cc1O)O

InChI:
InChI=1S/C15H10O6/c16-7-1-2-8-14(3-7)21-6-10(15(8)20)9-4-12(18)13(19)5-11(9)17/h1-6,16-19H

InChIKey:
XNYOKSPDVZMGIO-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occc6=O))cccO)ccc6O)))O

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: 1.304

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Chemical structure download