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IMPPAT Phytochemical information:
(-)-1-Cyclohexyl-4-tricosanol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY009507
Phytochemical name:
(-)-1-Cyclohexyl-4-tricosanol
Synonymous chemical names:
(-)-1-cyclohexyl-4-tricosanol
External chemical identifiers:
CID:129687293
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCCCCC(CCCC1CCCCC1)O
InChI:
InChI=1S/C29H58O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-26-29(30)27-22-25-28-23-19-18-20-24-28/h28-30H,2-27H2,1H3
InChIKey:
NOUDABILYBTVKT-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCCCCC6)))))))))O
Functional groups:
CO
Molecular scaffolds
Scaffold Graph/Node/Bond level:
C1CCCCC1
Scaffold Graph/Node level:
C1CCCCC1
Scaffold Graph level:
C1CCCCC1
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:
0.557
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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