Summary

IMPPAT Phytochemical identifier: IMPHY016446

Phytochemical name: 2,6-Dimethoxy-4-vinylphenol

Synonymous chemical names:
4-vinyl-2,6-dimethoxyphenol

External chemical identifiers:
CID:35960, ZINC:ZINC000002010767, FDASRS:ZB5OK5EX8B, SureChEMBL:SCHEMBL727024, MolPort-020-093-163

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Chemical structure information

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

InChI:
InChI=1S/C10H12O3/c1-4-7-5-8(12-2)10(11)9(6-7)13-3/h4-6,11H,1H2,2-3H3

InChIKey:
QHJGZUSJKGVMTF-UHFFFAOYSA-N

DeepSMILES:
COcccC=C))ccc6O))OC

Functional groups:
cC=C, 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: 0.923

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Chemical structure download