Summary

IMPPAT Phytochemical identifier: IMPHY013027

Phytochemical name: Biflavanone

Synonymous chemical names:
biflavanone

External chemical identifiers:
CID:10906409, SureChEMBL:SCHEMBL6704259

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Chemical structure information

SMILES:
O=C1CC(Oc2c1cccc2)(c1ccccc1)C1(CC(=O)c2c(O1)cccc2)c1ccccc1

InChI:
InChI=1S/C30H22O4/c31-25-19-29(21-11-3-1-4-12-21,33-27-17-9-7-15-23(25)27)30(22-13-5-2-6-14-22)20-26(32)24-16-8-10-18-28(24)34-30/h1-18H,19-20H2

InChIKey:
VKXZCPLFHFDCCT-UHFFFAOYSA-N

DeepSMILES:
O=CCCOcc6cccc6)))))))cccccc6))))))CCC=O)ccO6)cccc6))))))))cccccc6

Functional groups:
cC(C)=O, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1CC(c2ccccc2)(C2(c3ccccc3)CC(=O)c3ccccc3O2)Oc2ccccc21

Scaffold Graph/Node level:
OC1CC(C2CCCCC2)(C2(C3CCCCC3)CC(O)C3CCCCC3O2)OC2CCCCC12

Scaffold Graph level:
CC1CC(C2CCCCC2)(C2(C3CCCCC3)CC(C)C3CCCCC3C2)CC2CCCCC12

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Flavans

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavanones

NP-Likeness score: 0.367

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Chemical structure download