IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
Octadecadienol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY017699
Phytochemical name:
Octadecadienol
Synonymous chemical names:
octadecadienol*
External chemical identifiers:
CID:71317672
Chemical structure information
SMILES:
CCCCCCCCCCCCCCC=CC=CO
InChI:
InChI=1S/C18H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19/h15-19H,2-14H2,1H3
InChIKey:
YQBBOKLKQHKPIW-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCC=CC=CO
Functional groups:
CC=CC=CO
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic oxygen compounds
ClassyFire Class:
Organooxygen compounds
ClassyFire Subclass:
Enols
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Fatty alcohols
NP-Likeness score:
1.365
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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