IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
E-2-Tetradecen-1-ol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015969
Phytochemical name:
E-2-Tetradecen-1-ol
Synonymous chemical names:
trans-tetradec-2-enol
External chemical identifiers:
CID:5353006
,
ChEMBL:CHEMBL2228470
,
SureChEMBL:SCHEMBL1266077
Chemical structure information
SMILES:
CCCCCCCCCCC/C=C/CO
InChI:
InChI=1S/C14H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15/h12-13,15H,2-11,14H2,1H3/b13-12+
InChIKey:
UNJNVKPKKZTPPR-OUKQBFOZSA-N
DeepSMILES:
CCCCCCCCCCC/C=C/CO
Functional groups:
C/C=C/C, CO
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Fatty acyls
ClassyFire Subclass:
Fatty alcohols
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Fatty alcohols
NP-Likeness score:
1.466
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
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