IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
2,6,10,14-Tetramethyloctadecane
Summary
Physicochemical
Drug-likeness
ADME
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Summary
IMPPAT Phytochemical identifier:
IMPPAT3_PHYID017993
Phytochemical name:
2,6,10,14-Tetramethyloctadecane
Synonymous chemical names:
2,6,10,14-Tetramethyloctadecane
External chemical identifiers:
CID:CID_521556
Chemical structure information
SMILES:
CCCCC(CCCC(CCCC(CCCC(C)C)C)C)C
InChI:
InChI=1S/C22H46/c1-7-8-13-20(4)15-10-17-22(6)18-11-16-21(5)14-9-12-19(2)3/h19-22H,7-18H2,1-6H3
InChIKey:
PUTSHCSOTBWQAI-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCCCCC)C)))))C)))))C)))))C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Diterpenoids
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
0.448
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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