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IMPPAT Phytochemical information:
1-Tricosanol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY005263
Phytochemical name:
1-Tricosanol
Synonymous chemical names:
tricosan-1-ol, tricosanol, tricosyl alcohol
External chemical identifiers:
CID:18431
,
ChEBI:78411
,
ZINC:ZINC000086001453
,
FDASRS:K22080OPOX
,
SureChEMBL:SCHEMBL377279
,
MolPort-003-959-828
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCO
InChI:
InChI=1S/C23H48O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24/h24H,2-23H2,1H3
InChIKey:
FPLNRAYTBIFSFW-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCO
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:
0.313
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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