IMPPAT: Indian Medicinal Plants, Phytochemistry And Therapeutics
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IMPPAT Phytochemical information:
1,3-Dihydroxypropan-2-yl formate
Summary
Physicochemical
Drug-likeness
ADMET
Descriptors
Predicted human target proteins
Summary
IMPPAT Phytochemical identifier:
IMPHY013290
Phytochemical name:
1,3-Dihydroxypropan-2-yl formate
Synonymous chemical names:
monoglyceride
External chemical identifiers:
CID:17756737
,
FDASRS:O2Q80E9PLL
,
SureChEMBL:SCHEMBL1109928
Chemical structure information
SMILES:
OCC(OC=O)CO
InChI:
InChI=1S/C4H8O4/c5-1-4(2-6)8-3-7/h3-6H,1-2H2
InChIKey:
LDVVTQMJQSCDMK-UHFFFAOYSA-N
DeepSMILES:
OCCOC=O)))CO
Functional groups:
CO, COC=O
Chemical classification
ClassyFire Kingdom:
Organic compounds
ClassyFire Superclass:
Lipids and lipid-like molecules
ClassyFire Class:
Glycerolipids
ClassyFire Subclass:
Monoradylglycerols
NP-Likeness score:
1.89
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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