Summary

IMPPAT Phytochemical identifier: IMPHY014284

Phytochemical name: 4-(1-Hydroxyallyl)-2-methoxyphenol

Synonymous chemical names:
1'-hydroxyeugenol

External chemical identifiers:
CID:14008907, SureChEMBL:SCHEMBL1360247

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Chemical structure information

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

InChI:
InChI=1S/C10H12O3/c1-3-8(11)7-4-5-9(12)10(6-7)13-2/h3-6,8,11-12H,1H2,2H3

InChIKey:
CAQJZUXHKMYJEF-UHFFFAOYSA-N

DeepSMILES:
C=CCcccccc6)OC)))O)))))O

Functional groups:
C=CC, CO, 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: 1.24

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Chemical structure download