IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
a curated database
HOME
BROWSE
BASIC SEARCH
ADVANCED SEARCH
STATISTICS
ACKNOWLEDGEMENT
HELP
IMPPAT Phytochemical information:
26-Hydroxyhexacosanoic acid
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY004918
Phytochemical name:
26-Hydroxyhexacosanoic acid
Synonymous chemical names:
26-hydroxy-hexacosanoic-acid
External chemical identifiers:
CID:5312785
,
ChEBI:76325
,
SureChEMBL:SCHEMBL1700807
Chemical structure information
SMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCC(=O)O
InChI:
InChI=1S/C26H52O3/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)29/h27H,1-25H2,(H,28,29)
InChIKey:
GGDUSUKUCOFETL-UHFFFAOYSA-N
DeepSMILES:
OCCCCCCCCCCCCCCCCCCCCCCCCCC=O)O
Functional groups:
CC(=O)O, CO
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Fatty acyls
ClassyFire Subclass:
Fatty acids and conjugates
NP Classifier Biosynthetic pathway:
Fatty acids
NP Classifier Superclass:
Fatty Acids and Conjugates
NP Classifier Class:
Hydroxy fatty acids
NP-Likeness score:
0.337
Chemical structure download
2D:
2D MOL
2D MOL2
2D SDF
3D:
3D MOL
3D MOL2
3D SDF
3D PDB
3D PDBQT
Top