Summary

IMPPAT Phytochemical identifier: IMPHY013496

Phytochemical name: Dihydroxyisoflavone

Synonymous chemical names:
dihydroxyisoflavone

External chemical identifiers:
CID:54702662, SureChEMBL:SCHEMBL11479865

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Chemical structure information

SMILES:
O=c1oc2cccc(c2c(c1c1ccccc1)O)O

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

InChIKey:
IHHWIRIIIZBIDV-UHFFFAOYSA-N

DeepSMILES:
O=cocccccc6cc%10cccccc6)))))))O)))O

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1oc2ccccc2cc1-c1ccccc1

Scaffold Graph/Node level:
OC1OC2CCCCC2CC1C1CCCCC1

Scaffold Graph level:
CC1CC2CCCCC2CC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Isoflavonoids

ClassyFire Subclass: Hydroxyisoflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Coumarins

NP-Likeness score: 0.707

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Chemical structure download