(-)-(2S,3S,4R,7α)-10-de-O-carbamoyl-12-O-carbamoyl-N(β)-acetylstreptothricin F
AlkaPlorer ID: AK033419
Synonym: None
IUPAC Name: [(2R,3R,4S,5R,6S)-6-[[(3aS,7R,7aS)-7-hydroxy-4-oxo-1,3a,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-yl]amino]-5-[[(3S)-3-acetamido-6-aminohexanoyl]amino]-3,4-dihydroxyoxan-2-yl]methyl carbamate
Structure
SMILES: CC(O)=N[C@@H](CCCN)CC(O)=N[C@@H]1[C@H](O)[C@@H](O)[C@@H](COC(=N)O)O[C@@H]1NC1=N[C@@H]2[C@H](O)CN=C(O)[C@H]2N1
InChI: InChI=1S/C21H36N8O9/c1-8(30)25-9(3-2-4-22)5-12(32)26-15-17(34)16(33)11(7-37-20(23)36)38-19(15)29-21-27-13-10(31)6-24-18(35)14(13)28-21/h9-11,13-17,19,31,33-34H,2-7,22H2,1H3,(H2,23,36)(H,24,35)(H,25,30)(H,26,32)(H2,27,28,29)/t9-,10+,11+,13+,14-,15+,16-,17-,19-/m0/s1
InChIKey: MYRPVAWPYJQSCI-NCZVIPPYSA-N
Reference
Streptothricin Derivatives from<i>Streptomyces</i>sp<i>.</i>I08A 1776
PubChem CID: 53355460
LOTUS: LTS0068961
NPASS: NPC62845
{NPAtlas: NPA017147
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. I08A 1776 | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 544.5660000000003
TPSA？: 283.43999999999994
MolLogP？: -2.6414299999999926
Number of H-Donors: 11
Number of H-Acceptors: 13
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus subtilis | Bacillus subtilis | MIC | 128.0 | ug.mL-1 | 10.1021/np2000733 |
| Candida albicans | Candida albicans | MIC | 128.0 | ug.mL-1 | 10.1021/np2000733 |
| Enterococcus faecalis | Enterococcus faecalis | MIC | 128.0 | ug.mL-1 | 10.1021/np2000733 |
| Escherichia coli | Escherichia coli | MIC | 128.0 | ug.mL-1 | 10.1021/np2000733 |
| Homo sapiens | A549 | IC50 | 10000.0 | nM | 10.1021/np2000733 |
| Homo sapiens | HeLa | IC50 | 10000.0 | nM | 10.1021/np2000733 |
| Homo sapiens | HepG2 | IC50 | 10000.0 | nM | 10.1021/np2000733 |
| Morganella morganii | Morganella morganii | MIC | 128.0 | ug.mL-1 | 10.1021/np2000733 |
| Mycobacterium tuberculosis | Mycobacterium tuberculosis | MIC | 128.0 | ug.mL-1 | 10.1021/np2000733 |
| Mycolicibacterium smegmatis | Mycolicibacterium smegmatis | MIC | 128.0 | ug.mL-1 | 10.1021/np2000733 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | MIC | 128.0 | ug.mL-1 | 10.1021/np2000733 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 128.0 | ug.mL-1 | 10.1021/np2000733 |