IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
Tetradecanoate
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY002994
Phytochemical name:
Tetradecanoate
Synonymous chemical names:
myristate
External chemical identifiers:
CID:4075158
,
ChEBI:30807
Chemical structure information
SMILES:
CCCCCCCCCCCCCC(=O)[O-]
InChI:
InChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)/p-1
InChIKey:
TUNFSRHWOTWDNC-UHFFFAOYSA-M
DeepSMILES:
CCCCCCCCCCCCCC=O)[O-]
Functional groups:
CC(=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 acyls
NP Classifier Class:
Fatty aldehydes
NP-Likeness score:
0.119
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top