IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
Glycerides, C14-18
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY000177
Phytochemical name:
Glycerides, C14-18
Synonymous chemical names:
(c14-c18)trialkyl glyceride, glycerides
External chemical identifiers:
CID:105563
,
SureChEMBL:SCHEMBL2326840
Chemical structure information
SMILES:
CCCCCCCCCCCCC(=O)OCC(CO)O
InChI:
InChI=1S/C16H32O4/c1-2-3-4-5-6-7-8-9-10-11-12-16(19)20-14-15(18)13-17/h15,17-18H,2-14H2,1H3
InChIKey:
CLRCAFAXMVNJRH-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCC=O)OCCCO))O
Functional groups:
CO, COC(C)=O
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Glycerolipids
ClassyFire Subclass:
Monoradylglycerols
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Glycerolipids
NP Classifier Class:
Monoacylglycerols
NP-Likeness score:
0.812
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top