Summary

IMPPAT Phytochemical identifier: IMPHY005692

Phytochemical name: 4-Allyl-2,6-dimethoxyphenol

Synonymous chemical names:
4-allyl-2,6-dimethoxyphenol, 4-allyl-2,6-dimethoxyphenol (tent.), 4-allylsyringol, methoxyeugenol, methoxyeugenol (2,6-dimethoxy-4-allylphenol)

External chemical identifiers:
CID:226486, ChEMBL:CHEMBL2059292, ChEBI:86562, ZINC:ZINC000000404273, FDASRS:8VF00YWP89, SureChEMBL:SCHEMBL293977, MolPort-001-784-467

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Chemical structure information

SMILES:
COc1cc(CC=C)cc(c1O)OC

InChI:
InChI=1S/C11H14O3/c1-4-5-8-6-9(13-2)11(12)10(7-8)14-3/h4,6-7,12H,1,5H2,2-3H3

InChIKey:
FWMPKHMKIJDEMJ-UHFFFAOYSA-N

DeepSMILES:
COcccCC=C)))ccc6O))OC

Functional groups:
C=CC, cO, 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: Phenols

ClassyFire Subclass: Methoxyphenols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.956

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Chemical structure download