Summary

IMPPAT Phytochemical identifier: IMPHY016017

Phytochemical name: p-Coumaryl alcohol

Synonymous chemical names:
p-coumaryl alcohol

External chemical identifiers:
CID:5280535, ChEMBL:CHEMBL109034, ChEBI:64555, ZINC:ZINC000001529484, FDASRS:61POZ1QQ11, SureChEMBL:SCHEMBL221967, MolPort-002-886-915

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Chemical structure information

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

InChI:
InChI=1S/C9H10O2/c10-7-1-2-8-3-5-9(11)6-4-8/h1-6,10-11H,7H2/b2-1+

InChIKey:
PTNLHDGQWUGONS-OWOJBTEDSA-N

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

Functional groups:
CO, c/C=C/C, cO

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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: 1.55

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Chemical structure download