Summary
IMPPAT Phytochemical identifier: IMPHY006878
Phytochemical name: Panaxynol linoleate
Synonymous chemical names:panaxynol linoleate
External chemical identifiers:CID:131753057
Chemical structure information
SMILES:
CCCCCCC/C=C/CC#CC#CC(OC(=O)CCCCCCC/C=C/C/C=CCCCCC)C=CInChI:
InChI=1S/C35H54O2/c1-4-7-9-11-13-15-17-19-20-21-23-25-27-29-31-33-35(36)37-34(6-3)32-30-28-26-24-22-18-16-14-12-10-8-5-2/h6,13,15,18-20,22,34H,3-5,7-12,14,16-17,21,23-25,27,29,31,33H2,1-2H3/b15-13-,20-19+,22-18+InChIKey:
QALUBIVHAOUQRD-XEJKXIQKSA-NDeepSMILES:
CCCCCCC/C=C/CC#CC#CCOC=O)CCCCCCC/C=C/C/C=CCCCCC)))))))))))))))))))C=CFunctional groups:
C/C=C/C, C/C=CC, C=CC, CC#CC#CC, COC(C)=O
Chemical classification
ClassyFire Kingdom: Organic compoundsClassyFire Superclass: Lipids and lipid-like moleculesClassyFire Class: Fatty acyls
ClassyFire Subclass: Lineolic acids and derivatives
NP Classifier Biosynthetic pathway: Fatty acids
NP Classifier Superclass: Fatty acyls
NP Classifier Class: Hydrocarbons
NP-Likeness score: 1.534
Chemical structure download
