IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
2-Methyl-1-decanol
Summary
Physicochemical
Drug-likeness
ADME
Descriptors
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Summary
IMPPAT Phytochemical identifier:
IMPPAT3_PHYID018026
Phytochemical name:
2-Methyl-1-decanol
Synonymous chemical names:
2-Methyl-1-decanol
External chemical identifiers:
CID:CID_86776
,
Molport-006-122-697
Chemical structure information
SMILES:
CCCCCCCCC(CO)C
InChI:
InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-11(2)10-12/h11-12H,3-10H2,1-2H3
InChIKey:
JZEUFFFBEMAJHS-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCO))C
Functional groups:
CO
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Fatty acyls
ClassyFire Subclass:
Fatty alcohols
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty acyls
NP Classifier Class:
Fatty alcohols
NP-Likeness score:
1.341
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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