IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
1-Tricosene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY013900
Phytochemical name:
1-Tricosene
Synonymous chemical names:
1-tricosene, tricos-1-ene, tricosene
External chemical identifiers:
CID:181154
,
ZINC:ZINC000078170190
,
FDASRS:K3XZ0JUI4I
,
SureChEMBL:SCHEMBL337869
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCCCCCCC=C
InChI:
InChI=1S/C23H46/c1-3-5-7-9-11-13-15-17-19-21-23-22-20-18-16-14-12-10-8-6-4-2/h3H,1,4-23H2,2H3
InChIKey:
SJDSOBWGZRPKSB-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCC=C
Functional groups:
C=CC
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Unsaturated hydrocarbons
ClassyFire Subclass:
Unsaturated aliphatic hydrocarbons
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
0.442
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top