Summary

IMPPAT Phytochemical identifier: IMPHY001545

Phytochemical name: Coniferyl alcohol

Synonymous chemical names:
coniferyl alcohol

External chemical identifiers:
CID:1549095, ChEMBL:CHEMBL501870, ChEBI:17745, ZINC:ZINC000012359045, FDASRS:E7SM92591P, SureChEMBL:SCHEMBL177683, MolPort-001-785-894

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Chemical structure information

SMILES:
OC/C=C/c1ccc(c(c1)OC)O

InChI:
InChI=1S/C10H12O3/c1-13-10-7-8(3-2-6-11)4-5-9(10)12/h2-5,7,11-12H,6H2,1H3/b3-2+

InChIKey:
JMFRWRFFLBVWSI-NSCUHMNNSA-N

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

Functional groups:
CO, c/C=C/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: 1.532

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Chemical structure download