Leucomycin A5
AlkaPlorer ID: AK032987
Synonym: None
IUPAC Name: [(2S,3S,4R,6S)-6-[(2R,3S,4R,5R,6S)-6-[[(4R,5S,6S,7R,9R,10R,11E,13E,16R)-4,10-dihydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] butanoate
Structure
SMILES: CCCC(=O)O[C@H]1[C@H](C)O[C@@H](O[C@H]2[C@H](N(C)C)[C@@H](O)[C@H](O[C@H]3[C@@H](CC=O)C[C@@H](C)[C@@H](O)/C=C/C=C/C[C@@H](C)OC(=O)C[C@@H](O)[C@@H]3OC)O[C@@H]2C)C[C@@]1(C)O
InChI: InChI=1S/C39H65NO14/c1-10-14-29(44)52-37-25(5)50-31(21-39(37,6)47)53-34-24(4)51-38(33(46)32(34)40(7)8)54-35-26(17-18-41)19-22(2)27(42)16-13-11-12-15-23(3)49-30(45)20-28(43)36(35)48-9/h11-13,16,18,22-28,31-38,42-43,46-47H,10,14-15,17,19-21H2,1-9H3/b12-11+,16-13+/t22-,23-,24-,25+,26+,27+,28-,31+,32-,33-,34-,35+,36+,37+,38+,39-/m1/s1
InChIKey: JZVYPSLDMXOITF-MJRCUCNNSA-N
Reference
THE CHEMISTRY OF LEUCOMYCINS. VI
PubChem CID: 5282324
CAS: 18361-45-0
LOTUS: LTS0256093
{NPAtlas: NPA020475
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces kitasatoensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 771.9420000000001
TPSA？: 199.98
MolLogP？: 2.196600000000004
Number of H-Donors: 4
Number of H-Acceptors: 15
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus spizizenii | Bacillus spizizenii | MIC | 0.8 | ug.mL-1 | 10.1021/jm00215a025 |
| Bacteria | Bacterial 70S ribosome | IC50 | 1100.0 | nM | 10.1021/jm00215a025 |
| Bacteria | Bacterial 70S ribosome | pK50 | 6.0 | None | 10.1021/jm00215a025 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 12.5 | ug.mL-1 | 10.1021/jm00215a025 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.4 | ug.mL-1 | 10.1021/jm00215a025 |