Summary

IMPPAT Phytochemical identifier: IMPHY006038

Phytochemical name: Anolignan A

Synonymous chemical names:
anolignan a

External chemical identifiers:
CID:72391, ChEMBL:CHEMBL459395, ChEBI:65410, FDASRS:F7IFG6J8RN

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Chemical structure information

SMILES:
Oc1ccc(c(c1)O)CC(=C)C(=C)Cc1ccc2c(c1)OCO2

InChI:
InChI=1S/C19H18O4/c1-12(7-14-3-6-18-19(9-14)23-11-22-18)13(2)8-15-4-5-16(20)10-17(15)21/h3-6,9-10,20-21H,1-2,7-8,11H2

InChIKey:
HFSAUGRJONZEDN-UHFFFAOYSA-N

DeepSMILES:
Occcccc6)O))CC=C)C=C)Ccccccc6)OCO5

Functional groups:
C=C(C)C(=C)C, c1cOCO1, cO

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
C=C(Cc1ccccc1)C(=C)Cc1ccc2c(c1)OCO2

Scaffold Graph/Node level:
CC(CC1CCCCC1)C(C)CC1CCC2OCOC2C1

Scaffold Graph level:
CC(CC1CCCCC1)C(C)CC1CCC2CCCC2C1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Organoheterocyclic compounds

ClassyFire Class: Benzodioxoles

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Lignans

NP-Likeness score: 0.887

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Chemical structure download