Summary

IMPPAT Phytochemical identifier: IMPHY007580

Phytochemical name: Sarisan

Synonymous chemical names:
asaricin, sarisan, sarisan (1-allyl-2-methoxy-4,5-methylenedioxybenzene)

External chemical identifiers:
CID:95289, ChEBI:9031, ZINC:ZINC000000899873, FDASRS:CWL14ZQ19X, SureChEMBL:SCHEMBL14552371, MolPort-046-674-131

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Chemical structure information

SMILES:
C=CCc1cc2OCOc2cc1OC

InChI:
InChI=1S/C11H12O3/c1-3-4-8-5-10-11(14-7-13-10)6-9(8)12-2/h3,5-6H,1,4,7H2,2H3

InChIKey:
FYRHTIWFKXZWAD-UHFFFAOYSA-N

DeepSMILES:
C=CCcccOCOc5cc9OC

Functional groups:
C=CC, c1cOCO1, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccc2c(c1)OCO2

Scaffold Graph/Node level:
C1CCC2OCOC2C1

Scaffold Graph level:
C1CCC2CCCC2C1

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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: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.705

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Chemical structure download