IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
24-Hydroxytriacontan-26-one
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY009545
Phytochemical name:
24-Hydroxytriacontan-26-one
Synonymous chemical names:
24-hydroxytriacontan-26-one
External chemical identifiers:
CID:129650903
Chemical structure information
SMILES:
CCCCCCCCCCCCCCCCCCCCCCCC(CC(=O)CCCC)O
InChI:
InChI=1S/C30H60O2/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-27-30(32)28-29(31)26-6-4-2/h30,32H,3-28H2,1-2H3
InChIKey:
RTZOZODNFHGJSC-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCCCCCCCCCC=O)CCCC))))))O
Functional groups:
CC(C)=O, 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, Oxygenated hydrocarbons
NP-Likeness score:
0.739
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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