Leucomycin A4
AlkaPlorer ID: AK035996
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-acetyloxy-10-hydroxy-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](OC(C)=O)[C@@H]3OC)O[C@@H]2C)C[C@@]1(C)O
InChI: InChI=1S/C41H67NO15/c1-11-15-31(46)55-39-26(5)52-33(22-41(39,7)49)56-36-25(4)53-40(35(48)34(36)42(8)9)57-37-28(18-19-43)20-23(2)29(45)17-14-12-13-16-24(3)51-32(47)21-30(38(37)50-10)54-27(6)44/h12-14,17,19,23-26,28-30,33-40,45,48-49H,11,15-16,18,20-22H2,1-10H3/b13-12+,17-14+/t23-,24-,25-,26+,28+,29+,30-,33+,34-,35-,36-,37+,38+,39+,40+,41-/m1/s1
InChIKey: XVTMRUKLMXPAKO-RXUUKHTDSA-N
Reference
THE CHEMISTRY OF LEUCOMYCINS. VI
PubChem CID: 5282323
LOTUS: LTS0163024
{NPAtlas: NPA020474
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces kitasatoensis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 813.979
TPSA？: 206.04999999999995
MolLogP？: 2.767400000000006
Number of H-Donors: 3
Number of H-Acceptors: 16
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus spizizenii | Bacillus spizizenii | MIC | 1.6 | ug.mL-1 | 10.1021/jm00215a025 |
| Bacteria | Bacterial 70S ribosome | IC50 | 1200.0 | nM | 10.1021/jm00215a025 |
| Bacteria | Bacterial 70S ribosome | pK50 | 5.9 | None | 10.1021/jm00215a025 |
| Klebsiella pneumoniae | Klebsiella pneumoniae | MIC | 50.0 | ug.mL-1 | 10.1021/jm00215a025 |
| Staphylococcus aureus | Staphylococcus aureus | MIC | 0.8 | ug.mL-1 | 10.1021/jm00215a025 |