IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
1,26-Hexacosanediol
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY008255
Phytochemical name:
1,26-Hexacosanediol
Synonymous chemical names:
1,26-hexacosanediol, hexacosane-1,26-diol
External chemical identifiers:
CID:16747787
,
SureChEMBL:SCHEMBL10772196
Chemical structure information
SMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCO
InChI:
InChI=1S/C26H54O2/c27-25-23-21-19-17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20-22-24-26-28/h27-28H,1-26H2
InChIKey:
IDELJCANVIPGPV-UHFFFAOYSA-N
DeepSMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCCO
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:
0.221
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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