Summary

IMPPAT Phytochemical identifier: IMPHY008839

Phytochemical name: 7,4'-Dihydroxy-3',5'-dimethoxyisoflavone

Synonymous chemical names:
7,4'-dihydroxy-3',5'-dimethoxyisoflavone

Chemical structure information

SMILES:
COc1cc(cc(c1O)OC)c1coc2c(c1=O)ccc(c2)O

InChI:
InChI=1S/C17H14O6/c1-21-14-5-9(6-15(22-2)17(14)20)12-8-23-13-7-10(18)3-4-11(13)16(12)19/h3-8,18,20H,1-2H3

InChIKey:
KAAIDCFNSXASKK-UHFFFAOYSA-N

DeepSMILES:
COcccccc6O))OC))))ccoccc6=O))cccc6)O

Functional groups:
c=O, cO, cOC, 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: O-methylated isoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Isoflavonoids

NP Classifier Class: Isoflavones

NP-Likeness score: 0.9

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Chemical structure download