Summary
IMPPAT Phytochemical identifier: IMPHY006527
Phytochemical name: Wyerone
Synonymous chemical names:wyerone
External chemical identifiers:CID:643733, ChEBI:10045, FDASRS:J61878UBBT, SureChEMBL:SCHEMBL2811778
Chemical structure information
SMILES:
CC/C=CC#CC(=O)c1ccc(o1)/C=C/C(=O)OCInChI:
InChI=1S/C15H14O4/c1-3-4-5-6-7-13(16)14-10-8-12(19-14)9-11-15(17)18-2/h4-5,8-11H,3H2,1-2H3/b5-4-,11-9+InChIKey:
NQZCQIDFBYCBAU-JHGYFVHDSA-NDeepSMILES:
CC/C=CC#CC=O)cccco5)/C=C/C=O)OCFunctional groups:
c/C=C/C(=O)OC, cC(=O)C#C/C=CC, coc
Molecular scaffolds
Scaffold Graph/Node/Bond level:
c1ccoc1Scaffold Graph/Node level:
C1CCOC1Scaffold Graph level:
C1CCCC1
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Fatty acyls
ClassyFire Subclass: Fatty acids and conjugates
NP Classifier Biosynthetic pathway: Fatty acids
NP Classifier Superclass: Fatty acyls
NP Classifier Class: Fatty alcohols, Hydrocarbons
NP-Likeness score: 1.348
Chemical structure download
