IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
7-Tetradecanol, 6-propyl-
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY006711
Phytochemical name:
7-Tetradecanol, 6-propyl-
Synonymous chemical names:
6-propyltetradecan-7-ol
External chemical identifiers:
CID:71331775
Chemical structure information
SMILES:
CCCCCCCC(C(CCCCC)CCC)O
InChI:
InChI=1S/C17H36O/c1-4-7-9-10-12-15-17(18)16(13-6-3)14-11-8-5-2/h16-18H,4-15H2,1-3H3
InChIKey:
YEOXPWLORFFUEX-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCC)))))CCC))))O
Functional groups:
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:
1.11
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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