Summary

IMPPAT Phytochemical identifier: IMPHY000715

Phytochemical name: Kudzuisoflavone B

Synonymous chemical names:
kudzuisoflavone b

External chemical identifiers:
CID:101916289

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Chemical structure information

SMILES:
Oc1ccc2c(c1)occ(c2=O)c1ccc2c(c1)C1(C=CC(=O)CC1O2)c1coc2c(c1=O)ccc(c2)O

InChI:
InChI=1S/C30H18O8/c31-16-2-4-19-25(10-16)36-13-21(28(19)34)15-1-6-24-22(9-15)30(8-7-18(33)12-27(30)38-24)23-14-37-26-11-17(32)3-5-20(26)29(23)35/h1-11,13-14,27,31-32H,12H2

InChIKey:
WZJKASXTOXHOAC-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)occc6=O))cccccc6)CC=CC=O)CC6O9))))))ccoccc6=O))cccc6)O

Functional groups:
CC=CC(C)=O, c=O, cO, cOC, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1C=CC2(c3coc4ccccc4c3=O)c3cc(-c4coc5ccccc5c4=O)ccc3OC2C1

Scaffold Graph/Node level:
OC1CCC2(C3COC4CCCCC4C3O)C(C1)OC1CCC(C3COC4CCCCC4C3O)CC12

Scaffold Graph level:
CC1CCC2(C3CCC4CCCCC4C3C)C(C1)CC1CCC(C3CCC4CCCCC4C3C)CC12

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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: 1.22

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Chemical structure download