IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
2,6,10,14,19,23,27,31-Octamethyldotriacontane
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY013889
Phytochemical name:
2,6,10,14,19,23,27,31-Octamethyldotriacontane
Synonymous chemical names:
lycopane
External chemical identifiers:
CID:162550
Chemical structure information
SMILES:
CC(CCCC(CCCC(CCCC(C)C)C)C)CCCCC(CCCC(CCCC(CCCC(C)C)C)C)C
InChI:
InChI=1S/C40H82/c1-33(2)19-13-23-37(7)27-17-31-39(9)29-15-25-35(5)21-11-12-22-36(6)26-16-30-40(10)32-18-28-38(8)24-14-20-34(3)4/h33-40H,11-32H2,1-10H3
InChIKey:
VZVGMMPGAFGVOS-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCC)C)))))C)))))C)))))CCCCCCCCCCCCCCCCCC)C)))))C)))))C)))))C
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Tetraterpenoids
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Hydrocarbons
NP-Likeness score:
0.263
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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