IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
9-Octadecen-1-ol, (9Z)-
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY011225
Phytochemical name:
9-Octadecen-1-ol, (9Z)-
Synonymous chemical names:
(9z)-octadecenol, 9-octadecen-1-ol, 9-octadecenol
External chemical identifiers:
CID:8927
,
SureChEMBL:SCHEMBL5669
Chemical structure information
SMILES:
CCCCCCCCC=CCCCCCCCCO
InChI:
InChI=1S/C18H36O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h9-10,19H,2-8,11-18H2,1H3
InChIKey:
ALSTYHKOOCGGFT-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCC=CCCCCCCCCO
Functional groups:
CC=CC, 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:
0.945
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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