IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
1-Tridecanol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY009700
Phytochemical name:
1-Tridecanol
Synonymous chemical names:
1-tridecanol, tridecanol
External chemical identifiers:
CID:8207
,
ChEMBL:CHEMBL24832
,
ChEBI:34123
,
ZINC:ZINC000001680803
,
FDASRS:8I9428H868
,
SureChEMBL:SCHEMBL20879
,
MolPort-002-904-703
Chemical structure information
SMILES:
CCCCCCCCCCCCCO
InChI:
InChI=1S/C13H28O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14/h14H,2-13H2,1H3
InChIKey:
XFRVVPUIAFSTFO-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCO
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:
0.536
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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