IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
2-Decanol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY002851
Phytochemical name:
2-Decanol
Synonymous chemical names:
2- decanol, 2-decanol, 2-decyl-alcohol, decan-2-ol
External chemical identifiers:
CID:14254
,
ChEMBL:CHEMBL46477
,
SureChEMBL:SCHEMBL161083
Chemical structure information
SMILES:
CCCCCCCCC(O)C
InChI:
InChI=1S/C10H22O/c1-3-4-5-6-7-8-9-10(2)11/h10-11H,3-9H2,1-2H3
InChIKey:
ACUZDYFTRHEKOS-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCO)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:
1.158
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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