Roseophilin
AlkaPlorer ID: AK036918
Synonym: None
IUPAC Name: (12R,13R)-15-[5-(3-chloro-1H-pyrrol-2-yl)-3-methoxyfuran-2-yl]-13-propan-2-yl-2-azatricyclo[10.2.1.13,14]hexadeca-1(15),2,14(16)-triene
Structure
SMILES: COC1=C(C2=C3N=C4C=C3[C@H](C(C)C)[C@H]2CCCCCCCC4)OC(C2=C(Cl)C=CN2)=C1
InChI: InChI=1S/C27H33ClN2O2/c1-16(2)23-18-11-9-7-5-4-6-8-10-17-14-19(23)25(30-17)24(18)27-22(31-3)15-21(32-27)26-20(28)12-13-29-26/h12-16,18,23,29H,4-11H2,1-3H3/t18-,23-/m1/s1
InChIKey: AKRWVQHAEBBOTI-WZONZLPQSA-N
Reference
Structure of a new antibiotic, roseophilin
PubChem CID: 135423335
LOTUS: LTS0262099
{NPAtlas: NPA002965
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Streptomyces griseoviridis | Streptomyces | Streptomycetaceae | Kitasatosporales | Actinomycetes | Actinomycetota | None | Bacteria |
Properties Information
Molecule Weight: 453.0260000000002
TPSA？: 50.52
MolLogP？: 8.065200000000006
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Mycobacterium tuberculosis | Probable low molecular weight protein-tyrosine-phosphatase | IC50 | 8800.0 | nM | 10.1021/jm2012062 |