Summary

IMPPAT Phytochemical identifier: IMPHY006963

Phytochemical name: Anolignan B

Synonymous chemical names:
anoligan-b, anolignan b

External chemical identifiers:
CID:72388, ChEMBL:CHEMBL456870, ChEBI:65411, ZINC:ZINC000001641882, FDASRS:T002L6QU06, SureChEMBL:SCHEMBL23268876

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Chemical structure information

SMILES:
C=C(C(=C)Cc1ccc(cc1)O)Cc1ccc(cc1)O

InChI:
InChI=1S/C18H18O2/c1-13(11-15-3-7-17(19)8-4-15)14(2)12-16-5-9-18(20)10-6-16/h3-10,19-20H,1-2,11-12H2

InChIKey:
VVKZAZVVUAFFGF-UHFFFAOYSA-N

DeepSMILES:
C=CC=C)Ccccccc6))O)))))))Ccccccc6))O

Functional groups:
C=C(C)C(=C)C, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C(Cc1ccccc1)C(=C)Cc1ccccc1

Scaffold Graph/Node level:
CC(CC1CCCCC1)C(C)CC1CCCCC1

Scaffold Graph level:
CC(CC1CCCCC1)C(C)CC1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenols

ClassyFire Subclass: 1-hydroxy-2-unsubstituted benzenoids

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP-Likeness score: 0.578

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Chemical structure download