IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
10-Methylhenicosane
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY015132
Phytochemical name:
10-Methylhenicosane
Synonymous chemical names:
10 methyl-heneicosane
External chemical identifiers:
CID:518747
Chemical structure information
SMILES:
CCCCCCCCCCCC(CCCCCCCCC)C
InChI:
InChI=1S/C22H46/c1-4-6-8-10-12-13-15-17-19-21-22(3)20-18-16-14-11-9-7-5-2/h22H,4-21H2,1-3H3
InChIKey:
KTRAVACTWSNSDY-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCCCCC)))))))))C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Hydrocarbons
ClassyFire Class:
Saturated hydrocarbons
ClassyFire Subclass:
Alkanes
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
0.444
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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