Summary

IMPPAT Phytochemical identifier: IMPHY006709

Phytochemical name: Acetyleugenol

Synonymous chemical names:
aceteugenol, aceteugenol (phenol,2-methoxy-4-(2-propenyl)-,acetate, acetoeugenol, acetyleugenol, eugenol acetate, eugenol, acetyl, eugenyl acetate, eugenylacetate, eugenyle acetate

External chemical identifiers:
CID:7136, ChEMBL:CHEMBL108299, ChEBI:34522, ZINC:ZINC000000393900, FDASRS:V9OSB376X8, SureChEMBL:SCHEMBL112232, MolPort-001-792-302

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Chemical structure information

SMILES:
C=CCc1ccc(c(c1)OC)OC(=O)C

InChI:
InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3

InChIKey:
SCCDQYPEOIRVGX-UHFFFAOYSA-N

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

Functional groups:
C=CC, cOC, cOC(C)=O

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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 esters

NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids

NP Classifier Superclass: Phenylpropanoids (C6-C3)

NP Classifier Class: Cinnamic acids and derivatives

NP-Likeness score: 0.63

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Chemical structure download