(2R,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid
AlkaPlorer ID: AK591125
Synonym: None
IUPAC Name: (2S,3R,4R,5S)-3,4,5-trihydroxypiperidine-2-carboxylic acid
Structure
SMILES: O=C(O)[C@H]1NC[C@H](O)[C@@H](O)[C@@H]1O
InChI: InChI=1S/C6H11NO5/c8-2-1-7-3(6(11)12)5(10)4(2)9/h2-5,7-10H,1H2,(H,11,12)/t2-,3-,4+,5+/m0/s1
InChIKey: ZHFMVVUVCALAMY-QMKXCQHVSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Baphia racemosa | Baphia | Fabaceae | Fabales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 177.156
TPSA？: 110.02
MolLogP？: -2.874499999999999
Number of H-Donors: 5
Number of H-Acceptors: 5
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Beta-glucuronidase | Ki | 21470.0 | nM | 10.1021/acs.jmedchem.9b01918 |
| Escherichia coli (strain K12) | Beta-glucuronidase | Ki | 17510.0 | nM | 10.1021/acs.jmedchem.9b01918 |
| Gallus gallus | Alpha-N-acetylgalactosaminidase | Inhibition | 0.2 | % | 10.1016/j.bmc.2008.06.016 |
| Homo sapiens | Endo-beta-N-acetylglucosaminidase | Inhibition | 43.0 | % | 10.1016/j.bmc.2008.06.016 |
| None | Unchecked | IC50 | 70000.0 | nM | 10.1016/j.bmc.2008.06.016 |
| None | Unchecked | IC50 | 70000.0 | nM | 10.1016/j.ejmech.2019.111921 |
| None | Unchecked | IC50 | 215000.0 | nM | 10.1016/j.bmc.2008.06.016 |
| None | Unchecked | Inhibition | 13.0 | % | 10.1016/j.bmc.2008.06.016 |
| None | Unchecked | Inhibition | 72.0 | % | 10.1016/j.bmc.2008.06.016 |
| None | Unchecked | Inhibition | 95.0 | % | 10.1016/j.bmc.2008.06.016 |
| None | Unchecked | Ki | 2410.0 | nM | 10.1021/acs.jmedchem.9b01918 |
| None | Unchecked | Ki | 12280.0 | nM | 10.1021/acs.jmedchem.9b01918 |
| None | Unchecked | Ki | 20990.0 | nM | 10.1021/acs.jmedchem.9b01918 |
| None | Unchecked | Ki | 400000.0 | nM | 10.1016/j.bmc.2008.06.016 |