6,7,8-trihydroxy-5-(hydroxymethyl)-octahydroimidazo[1,2-a]pyridine-2-carboxylic acid
AlkaPlorer ID: AK132786
Synonym: None
IUPAC Name: (5R,6R,7S,8S)-6,7,8-trihydroxy-5-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroimidazo[1,2-a]pyridine-2-carboxylic acid
Structure
SMILES: O=C(O)C1CN2C(N1)[C@H](O)[C@@H](O)[C@H](O)[C@H]2CO
InChI: InChI=1S/C9H16N2O6/c12-2-4-5(13)6(14)7(15)8-10-3(9(16)17)1-11(4)8/h3-8,10,12-15H,1-2H2,(H,16,17)/t3?,4-,5-,6+,7-,8?/m1/s1
InChIKey: CLJMUGBMMVBGHE-FOCKFDDASA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Fraxinus excelsior | Fraxinus | Oleaceae | Lamiales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 248.23500000000004
TPSA？: 133.49
MolLogP？: -3.871899999999999
Number of H-Donors: 6
Number of H-Acceptors: 7
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Peroxisome proliferator-activated receptor alpha | Activity | 21.0 | % | 10.1021/np9003118 |
| Homo sapiens | Solute carrier family 2, facilitated glucose transporter member 4 | Inhibition | nan | % | 10.1021/np9003118 |
| Mus musculus | 3T3-L1 | Inhibition | -10.4 | % | 10.1021/np9003118 |
| Mus musculus | 3T3-L1 | Inhibition | -8.3 | % | 10.1021/np9003118 |
| Mus musculus | 3T3-L1 | Inhibition | -2.1 | % | 10.1021/np9003118 |
| Mus musculus | 3T3-L1 | Inhibition | 2.3 | % | 10.1021/np9003118 |