Summary

IMPPAT Phytochemical identifier: IMPHY013229

Phytochemical name: 2',4'-Dihydroxy-5,7-dimethoxyisoflavone

Synonymous chemical names:
2',4'-dihydroxy-5,7-dimethoxyisoflavone

External chemical identifiers:
CID:14756217, ZINC:ZINC000014759002

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Chemical structure information

SMILES:
COc1cc(OC)cc2c1c(=O)c(co2)c1ccc(cc1O)O

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

InChIKey:
SKVDVYIZINFQQM-UHFFFAOYSA-N

DeepSMILES:
COcccOC))ccc6c=O)cco6))cccccc6O)))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: 1.245

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Chemical structure download