IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
1,17-Heptadecanediol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY013252
Phytochemical name:
1,17-Heptadecanediol
Synonymous chemical names:
1,17-heptadecanediol, 1;17-heptadecanediol
External chemical identifiers:
CID:15232793
,
ZINC:ZINC000015269439
,
SureChEMBL:SCHEMBL160055
Chemical structure information
SMILES:
OCCCCCCCCCCCCCCCCCO
InChI:
InChI=1S/C17H36O2/c18-16-14-12-10-8-6-4-2-1-3-5-7-9-11-13-15-17-19/h18-19H,1-17H2
InChIKey:
WNZVVHVYAKZZBU-UHFFFAOYSA-N
DeepSMILES:
OCCCCCCCCCCCCCCCCCO
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:
0.326
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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