Summary

IMPPAT Phytochemical identifier: IMPHY014053

Phytochemical name: 3-(4-Methoxyphenyl)-2-propen-1-ol

Synonymous chemical names:
p-methoxycinnamyl alcohol

External chemical identifiers:
CID:5314180, ChEMBL:CHEMBL4170861, ZINC:ZINC000001633876, SureChEMBL:SCHEMBL1278751, MolPort-005-982-954

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Chemical structure information

SMILES:
OC/C=C/c1ccc(cc1)OC

InChI:
InChI=1S/C10H12O2/c1-12-10-6-4-9(5-7-10)3-2-8-11/h2-7,11H,8H2,1H3/b3-2+

InChIKey:
NYICIIFSBJOBKE-NSCUHMNNSA-N

DeepSMILES:
OC/C=C/cccccc6))OC

Functional groups:
CO, c/C=C/C, 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: Phenylpropanoids and polyketides

ClassyFire Class: Cinnamyl alcohols

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.948

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Chemical structure download