IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
Tetracosenoic acid
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY006187
Phytochemical name:
Tetracosenoic acid
Synonymous chemical names:
tetracosenoic acid
External chemical identifiers:
CID:6440260
,
ChEMBL:CHEMBL4292310
,
SureChEMBL:SCHEMBL258278
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCCCCCC/C=C/C(=O)O
InChI:
InChI=1S/C24H46O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24(25)26/h22-23H,2-21H2,1H3,(H,25,26)/b23-22+
InChIKey:
ULNRTPCFRBIMKL-GHVJWSGMSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCCCCC/C=C/C=O)O
Functional groups:
C/C=C/C(=O)O
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Fatty acyls
ClassyFire Subclass:
Fatty acids and conjugates
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty Acids and Conjugates
NP Classifier Class:
Unsaturated fatty acids
NP-Likeness score:
0.67
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top