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IMPPAT Phytochemical information:
12-Tricosanol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY010873
Phytochemical name:
12-Tricosanol
Synonymous chemical names:
12-tricosanol, tricosan-12-ol
External chemical identifiers:
CID:3084429
,
ZINC:ZINC000086001456
,
SureChEMBL:SCHEMBL1812051
Chemical structure information
SMILES:
CCCCCCCCCCCC(CCCCCCCCCCC)O
InChI:
InChI=1S/C23H48O/c1-3-5-7-9-11-13-15-17-19-21-23(24)22-20-18-16-14-12-10-8-6-4-2/h23-24H,3-22H2,1-2H3
InChIKey:
PFMNFSXMCRSYMU-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCC)))))))))))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:
0.53
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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