IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
2-Undecanol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY001538
Phytochemical name:
2-Undecanol
Synonymous chemical names:
2-undecanol, 2-undecylalcohol, undecan-2-01, undecan-2-ol
External chemical identifiers:
CID:15448
,
ChEBI:77930
,
FDASRS:49PCZ1S7LY
,
SureChEMBL:SCHEMBL378851
,
MolPort-001-783-215
Chemical structure information
SMILES:
CCCCCCCCCC(O)C
InChI:
InChI=1S/C11H24O/c1-3-4-5-6-7-8-9-10-11(2)12/h11-12H,3-10H2,1-2H3
InChIKey:
XMUJIPOFTAHSOK-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:
1.061
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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