Epoxyquinomicin B
AlkaPlorer ID: AK052328
Synonym: None
IUPAC Name: 2-hydroxy-N-[(1S,6R)-6-(hydroxymethyl)-2,5-dioxo-7-oxabicyclo[4.1.0]hept-3-en-3-yl]benzamide
Structure
SMILES: O=C1C(N=C(O)C2=CC=CC=C2O)=CC(=O)[C@]2(CO)O[C@H]12
InChI: InChI=1S/C14H11NO6/c16-6-14-10(18)5-8(11(19)12(14)21-14)15-13(20)7-3-1-2-4-9(7)17/h1-5,12,16-17H,6H2,(H,15,20)/t12-,14+/m1/s1
InChIKey: VIGCRVLJRHAWJR-OCCSQVGLSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Amycolatopsis sulphurea | Amycolatopsis | Pseudonocardiaceae | Pseudonocardiales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 289.243
TPSA？: 119.72
MolLogP？: -0.1376
Number of H-Donors: 3
Number of H-Acceptors: 6
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | LD50 | 50.0 | mg.kg-1 | 10.1016/s0960-894x(98)00529-0 |