Summary

IMPPAT Phytochemical identifier: IMPHY006572

Phytochemical name: 7-Hydroxy-3-[4-hydroxy-3-[2-hydroxy-5-(7-hydroxy-4-oxochromen-3-yl)phenyl]phenyl]chromen-4-one

Synonymous chemical names:
kudzuisoflavone a

External chemical identifiers:
CID:71618826, ZINC:ZINC000085991322

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Chemical structure information

SMILES:
Oc1ccc2c(c1)occ(c2=O)c1ccc(c(c1)c1cc(ccc1O)c1coc2c(c1=O)ccc(c2)O)O

InChI:
InChI=1S/C30H18O8/c31-17-3-5-19-27(11-17)37-13-23(29(19)35)15-1-7-25(33)21(9-15)22-10-16(2-8-26(22)34)24-14-38-28-12-18(32)4-6-20(28)30(24)36/h1-14,31-34H

InChIKey:
PQOXGHFIRAKOKL-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occc6=O))cccccc6)cccccc6O))))ccoccc6=O))cccc6)O)))))))))))))O

Functional groups:
c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2cccc(-c3cccc(-c4coc5ccccc5c4=O)c3)c2)coc2ccccc12

Scaffold Graph/Node level:
OC1C(C2CCCC(C3CCCC(C4COC5CCCCC5C4O)C3)C2)COC2CCCCC21

Scaffold Graph level:
CC1C2CCCCC2CCC1C1CCCC(C2CCCC(C3CCC4CCCCC4C3C)C2)C1

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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: 0.579

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Chemical structure download