IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
4-Methyltetracosane
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015390
Phytochemical name:
4-Methyltetracosane
Synonymous chemical names:
4-methyl tetracosane, 4-methyltetracosane
External chemical identifiers:
CID:527470
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCCCCCC(CCC)C
InChI:
InChI=1S/C25H52/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-24-25(3)23-5-2/h25H,4-24H2,1-3H3
InChIKey:
ZMWYRLCLGPLJAE-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCC)))C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Saturated hydrocarbons
ClassyFire Subclass:
Alkanes
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
0.458
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top