IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
3,7,11,15-Tetramethylhexadecan-1-ol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY016620
Phytochemical name:
3,7,11,15-Tetramethylhexadecan-1-ol
Synonymous chemical names:
dihydrophytol
External chemical identifiers:
CID:102459
,
ChEMBL:CHEMBL4206760
,
SureChEMBL:SCHEMBL95738
,
MolPort-006-112-217
Chemical structure information
SMILES:
OCCC(CCCC(CCCC(CCCC(C)C)C)C)C
InChI:
InChI=1S/C20H42O/c1-17(2)9-6-10-18(3)11-7-12-19(4)13-8-14-20(5)15-16-21/h17-21H,6-16H2,1-5H3
InChIKey:
AJAKLDUGVSKVDG-UHFFFAOYSA-N
DeepSMILES:
OCCCCCCCCCCCCCCCC)C)))))C)))))C)))))C
Functional groups:
CO
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Prenol lipids
ClassyFire Subclass:
Diterpenoids
NP Classifier Biosynthetic pathway:
Terpenoids
NP Classifier Superclass:
Diterpenoids
NP Classifier Class:
Phytane diterpenoids
NP-Likeness score:
0.785
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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