IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
cis-2-Tetradecene
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016104
Phytochemical name:
cis-2-Tetradecene
Synonymous chemical names:
(z)-2-tetradecene
External chemical identifiers:
CID:5364428
,
FDASRS:6O5S0Y06VQ
,
SureChEMBL:SCHEMBL7194560
Chemical structure information
SMILES:
CCCCCCCCCCC/C=CC
InChI:
InChI=1S/C14H28/c1-3-5-7-9-11-13-14-12-10-8-6-4-2/h3,5H,4,6-14H2,1-2H3/b5-3-
InChIKey:
OBDUMNZXAIUUTH-HYXAFXHYSA-N
DeepSMILES:
CCCCCCCCCCC/C=CC
Functional groups:
C/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:
1.147
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top