Summary

IMPPAT Phytochemical identifier: IMPHY008676

Phytochemical name: Ethyleugenol

Synonymous chemical names:
ethyl eugenol

External chemical identifiers:
CID:6429690, ChEMBL:CHEMBL2270962, ZINC:ZINC000019862603, SureChEMBL:SCHEMBL357018

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Chemical structure information

SMILES:
CCOc1ccc(cc1OC)CC=C

InChI:
InChI=1S/C12H16O2/c1-4-6-10-7-8-11(14-5-2)12(9-10)13-3/h4,7-9H,1,5-6H2,2-3H3

InChIKey:
OTMFQLIUPDESAI-UHFFFAOYSA-N

DeepSMILES:
CCOcccccc6OC))))CC=C

Functional groups:
C=CC, 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: Phenol ethers

ClassyFire Subclass: Anisoles

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: -0.015

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Chemical structure download