Summary

IMPPAT Phytochemical identifier: IMPHY001100

Phytochemical name: Benz[b]indeno[1,2-e]pyran-6,11-dione

Synonymous chemical names:
benz[b]indeno[1,2-e]pyran-6,11-dione, wrightiadione, wrightiadione (isoflavone)

External chemical identifiers:
CID:10422105, ChEMBL:CHEMBL3629616

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Chemical structure information

SMILES:
O=C1c2ccccc2-c2c1oc1ccccc1c2=O

InChI:
InChI=1S/C16H8O3/c17-14-11-7-3-4-8-12(11)19-16-13(14)9-5-1-2-6-10(9)15(16)18/h1-8H

InChIKey:
CXXCRLLJRGEAJV-UHFFFAOYSA-N

DeepSMILES:
O=Ccccccc6-cc9occcccc6c%10=O

Functional groups:
c=O, cC(c)=O, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=C1c2ccccc2-c2c1oc1ccccc1c2=O

Scaffold Graph/Node level:
OC1C2CCCCC2C2C(O)C3CCCCC3OC12

Scaffold Graph level:
CC1C2CCCCC2C2C(C)C3CCCCC3CC12

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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-Likeness score: 0.526

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Chemical structure download