Summary
SMILES: C=CCc1ccc(c(c1)OC)OC(=O)CInChI: InChI=1S/C12H14O3/c1-4-5-10-6-7-11(15-9(2)13)12(8-10)14-3/h4,6-8H,1,5H2,2-3H3InChIKey: SCCDQYPEOIRVGX-UHFFFAOYSA-N
DeepSMILES: C=CCcccccc6)OC)))OC=O)C
Scaffold Graph/Node/Bond level: c1ccccc1
Scaffold Graph/Node level: C1CCCCC1
Scaffold Graph level: C1CCCCC1
Functional groups: C=CC; cOC; cOC(C)=O
Chemical classification
ClassyFire Kingdom: Organic compounds
ClassyFire Superclass: BenzenoidsClassyFire Class: Phenol esters
NP Classifier Biosynthetic pathway: Shikimates and Phenylpropanoids
NP Classifier Superclass: Phenylpropanoids (C6-C3)
NP Classifier Class: Cinnamic acids and derivatives
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
Chemical structure download