Summary

IMPPAT Phytochemical identifier: IMPHY006369

Phytochemical name: Bisnoryangonin

Synonymous chemical names:
bisnoryangonin

External chemical identifiers:
CID:54680478, ChEMBL:CHEMBL4066356, ChEBI:29547, SureChEMBL:SCHEMBL13660630

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Chemical structure information

SMILES:
Oc1ccc(cc1)/C=C/c1cc(O)cc(=O)o1

InChI:
InChI=1S/C13H10O4/c14-10-4-1-9(2-5-10)3-6-12-7-11(15)8-13(16)17-12/h1-8,14-15H/b6-3+

InChIKey:
ORVQWHLMVLOZPX-ZZXKWVIFSA-N

DeepSMILES:
Occcccc6))/C=C/cccO)cc=O)o6

Functional groups:
c/C=C/c, c=O, cO, coc

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
O=c1cccc(C=Cc2ccccc2)o1

Scaffold Graph/Node level:
OC1CCCC(CCC2CCCCC2)O1

Scaffold Graph level:
CC1CCCC(CCC2CCCCC2)C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Benzene and substituted derivatives

ClassyFire Subclass: Styrenes

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Styrylpyrones

NP Classifier Class: Kavalactones and derivatives

NP-Likeness score: 1.078

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Chemical structure download