Glucoputranjivin
AlkaPlorer ID: AK020824
Synonym: None
IUPAC Name: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-2-methyl-N-sulfooxypropanimidothioate
Structure
SMILES: CC(C)/C(=N/OS(=O)(=O)O)S[C@@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
InChI: InChI=1S/C10H19NO9S2/c1-4(2)9(11-20-22(16,17)18)21-10-8(15)7(14)6(13)5(3-12)19-10/h4-8,10,12-15H,3H2,1-2H3,(H,16,17,18)/b11-9-/t5-,6-,7+,8-,10+/m1/s1
InChIKey: WGIQZGDVCQDPTG-WUBUQRIPSA-N
Reference
Antimutagenic Thio Compounds from <i>Sisymbrium officinale</i>
PubChem CID: 20843337
LOTUS: LTS0021286
NPASS: NPC320012
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Sisymbrium officinale | Sisymbrium | Brassicaceae | Brassicales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 361.394
TPSA？: 166.11
MolLogP？: -1.6915999999999995
Number of H-Donors: 5
Number of H-Acceptors: 10
RingCount: 1
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Escherichia coli | Escherichia coli | Activity | 77.0 | % | 10.1021/np300244q |
| Escherichia coli | Escherichia coli | Activity | 80.0 | % | 10.1021/np300244q |
| Escherichia coli | Escherichia coli | Activity | 82.0 | % | 10.1021/np300244q |
| Escherichia coli | Escherichia coli | Activity | 93.0 | % | 10.1021/np300244q |
| Escherichia coli | Escherichia coli | Inhibition | 21.5 | % | 10.1021/np300244q |
| Escherichia coli | Escherichia coli | Inhibition | 32.8 | % | 10.1021/np300244q |
| Escherichia coli | Escherichia coli | Inhibition | 38.5 | % | 10.1021/np300244q |
| Escherichia coli | Escherichia coli | Inhibition | 44.6 | % | 10.1021/np300244q |
| Escherichia coli | Escherichia coli | Inhibition | 61.6 | % | 10.1021/np300244q |
| Escherichia coli | Escherichia coli | Inhibition | 80.1 | % | 10.1021/np300244q |
| None | No relevant target | solubility | nan | None | 10.1021/np300244q |