IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
10-Tricosanone
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY010293
Phytochemical name:
10-Tricosanone
Synonymous chemical names:
10-tricosanone
External chemical identifiers:
CID:5195001
,
ZINC:ZINC000086001458
Chemical structure information
SMILES:
CCCCCCCCCCCCCC(=O)CCCCCCCCC
InChI:
InChI=1S/C23H46O/c1-3-5-7-9-11-12-13-14-16-18-20-22-23(24)21-19-17-15-10-8-6-4-2/h3-22H2,1-2H3
InChIKey:
YQAGGUFIAQCPGU-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCC=O)CCCCCCCCC
Functional groups:
CC(C)=O
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Organic oxygen compounds
ClassyFire Class:
Organooxygen compounds
ClassyFire Subclass:
Carbonyl compounds
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Oxygenated hydrocarbons
NP-Likeness score:
0.341
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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