Summary

IMPPAT Phytochemical identifier: IMPHY008204

Phytochemical name: gamma-Asarone

Synonymous chemical names:
1,2,4-trimethoxy-5-(2-propenyl)benzene, euasarone, gamma-asarone, γ-asarone

External chemical identifiers:
CID:636750, ChEBI:81353, SureChEMBL:SCHEMBL942820, MolPort-046-141-293

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Chemical structure information

SMILES:
C=CCc1cc(OC)c(cc1OC)OC

InChI:
InChI=1S/C12H16O3/c1-5-6-9-7-11(14-3)12(15-4)8-10(9)13-2/h5,7-8H,1,6H2,2-4H3

InChIKey:
AUNAUZZQBAIQFJ-UHFFFAOYSA-N

DeepSMILES:
C=CCcccOC))ccc6OC))))OC

Functional groups:
C=CC, cOC

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Molecular scaffolds

Scaffold Graph/Node/Bond level:
c1ccccc1

Scaffold Graph/Node level:
C1CCCCC1

Scaffold Graph level:
C1CCCCC1

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Chemical classification

ClassyFire Kingdom: Organic compounds

ClassyFire Superclass: Benzenoids

ClassyFire Class: Phenol ethers

ClassyFire Subclass: Anisoles

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.453

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Chemical structure download