IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
10-Hydroxypentadecanoic acid
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Summary
IMPPAT Phytochemical identifier:
IMPHY013206
Phytochemical name:
10-Hydroxypentadecanoic acid
Synonymous chemical names:
10-hydroxypentadecanoic acid
External chemical identifiers:
CID:14454540
,
SureChEMBL:SCHEMBL1873936
Chemical structure information
SMILES:
CCCCCC(CCCCCCCCC(=O)O)O
InChI:
InChI=1S/C15H30O3/c1-2-3-8-11-14(16)12-9-6-4-5-7-10-13-15(17)18/h14,16H,2-13H2,1H3,(H,17,18)
InChIKey:
AYZPTZGJDYPHSF-UHFFFAOYSA-N
DeepSMILES:
CCCCCCCCCCCCCCC=O)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:
0.906
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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