hydroxyectoine
AlkaPlorer ID: AK025456
Synonym: '165542-15-4', 'Hydroxyectoine'
IUPAC Name: (5S,6S)-5-hydroxy-2-methyl-1,4,5,6-tetrahydropyrimidine-6-carboxylic acid
Structure
SMILES: CC1=N[C@H](C(=O)O)[C@@H](O)CN1
InChI: InChI=1S/C6H10N2O3/c1-3-7-2-4(9)5(8-3)6(10)11/h4-5,9H,2H2,1H3,(H,7,8)(H,10,11)/t4-,5-/m0/s1
InChIKey: KIIBBJKLKFTNQO-WHFBIAKZSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces rimosus | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 158.15699999999998
TPSA？: 81.92
MolLogP？: -1.1779
Number of H-Donors: 3
Number of H-Acceptors: 4
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Rattus norvegicus | Rattus norvegicus | Activity | 1.3 | cm2 | 10.1021/acs.jnatprod.5b00115 |
| Rattus norvegicus | Rattus norvegicus | Activity | 4.0 | mg kg-1 | 10.1021/acs.jnatprod.5b00115 |
| Rattus norvegicus | Rattus norvegicus | Activity | nan | None | 10.1021/acs.jnatprod.5b00115 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 1.159 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | Replicase polyprotein 1ab | Inhibition | 24.9 | % | 10.6019/CHEMBL4495564 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | -0.1 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 0.43 | % | 10.6019/CHEMBL4495565 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | Inhibition | 5.19 | % | 10.21203/rs.3.rs-23951/v1 |