Summary

IMPPAT Phytochemical identifier: IMPHY012981

Phytochemical name: Biflavone

Synonymous chemical names:
biflavone

External chemical identifiers:
CID:9980790, ChEMBL:CHEMBL1779468, ZINC:ZINC000071333995, SureChEMBL:SCHEMBL693914

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Chemical structure information

SMILES:
O=c1c(c(oc2c1cccc2)c1ccccc1)c1c(oc2c(c1=O)cccc2)c1ccccc1

InChI:
InChI=1S/C30H18O4/c31-27-21-15-7-9-17-23(21)33-29(19-11-3-1-4-12-19)25(27)26-28(32)22-16-8-10-18-24(22)34-30(26)20-13-5-2-6-14-20/h1-18H

InChIKey:
UFJORDZSBNSRQT-UHFFFAOYSA-N

DeepSMILES:
O=cccocc6cccc6)))))))cccccc6)))))))ccoccc6=O))cccc6)))))))cccccc6

Functional groups:
c=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1c(-c2c(-c3ccccc3)oc3ccccc3c2=O)c(-c2ccccc2)oc2ccccc12

Scaffold Graph/Node level:
OC1C2CCCCC2OC(C2CCCCC2)C1C1C(O)C2CCCCC2OC1C1CCCCC1

Scaffold Graph level:
CC1C2CCCCC2CC(C2CCCCC2)C1C1C(C)C2CCCCC2CC1C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Phenylpropanoids and polyketides

ClassyFire Class: Flavonoids

ClassyFire Subclass: Biflavonoids and polyflavonoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Flavonoids

NP Classifier Class: Flavones

NP-Likeness score: 0.191

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Chemical structure download