UK-2A
AlkaPlorer ID: AK023674
Synonym: None
IUPAC Name: [(3S,6S,7R,8R)-8-benzyl-3-[(3-hydroxy-4-methoxypyridine-2-carbonyl)amino]-6-methyl-4,9-dioxo-1,5-dioxonan-7-yl] 2-methylpropanoate
Structure
SMILES: COC1=CC=NC(C(=O)N[C@H]2COC(=O)[C@H](CC3=CC=CC=C3)[C@@H](OC(=O)C(C)C)[C@H](C)OC2=O)=C1O
InChI: InChI=1S/C26H30N2O9/c1-14(2)24(31)37-22-15(3)36-26(33)18(28-23(30)20-21(29)19(34-4)10-11-27-20)13-35-25(32)17(22)12-16-8-6-5-7-9-16/h5-11,14-15,17-18,22,29H,12-13H2,1-4H3,(H,28,30)/t15-,17+,18-,22-/m0/s1
InChIKey: MLGCATYQZVMGBG-PBWVOLNLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces sp. | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 514.5310000000003
TPSA？: 150.35000000000002
MolLogP？: 1.8093999999999992
Number of H-Donors: 2
Number of H-Acceptors: 10
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bos taurus | Bos taurus | Log I50 | 6.0 | None | 10.1016/j.bmcl.2006.03.023 |
| Rattus norvegicus | RBL-2H3 | Activity | nan | None | 10.1021/acs.jnatprod.8b00559 |
| Rattus norvegicus | RBL-2H3 | IC50 | 1377.0 | nM | 10.1021/acs.jnatprod.8b00559 |
| Rhodotorula mucilaginosa | Rhodotorula mucilaginosa | MIC | 0.1 | ug.mL-1 | 10.1016/j.bmcl.2006.03.023 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IZ | 19.0 | mm | 10.1016/j.bmcl.2005.02.065 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IZ | 22.0 | mm | 10.1016/j.bmcl.2005.02.065 |
| Saccharomyces cerevisiae | Saccharomyces cerevisiae | IZ | 26.0 | mm | 10.1016/j.bmcl.2005.02.065 |