Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012078
PROPERTIES
| NPAID | NPA012078 |
|---|---|
| CLUSTER ID | 4584 |
| NODE ID | 973 |
| NAME | Pestalone |
| FORMULA | C21H20Cl2O6 |
| MOLECULAR WEIGHT (Da) | 439.2910 |
| ACCURATE MASS (Da) | 438.0637 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Pestalotia |
| ORIGIN SPECIES | sp. |
| InChIKey | ACRANQNXYMAQKJ-UHFFFAOYSA-N |
| InChI | InChI=1S/C21H20Cl2O6/c1-9(2)5-6-11-13(25)7-14(26)12(8-24)15(11)19(27)16-20(28)17(22)10(3)18(23)21(16)29-4/h5,7-8,25-26,28H,6H2,1-4H3 |
| SMILES | CC1=C(C(=C(C(=C1Cl)OC)C(=O)C2=C(C(=CC(=C2CC=C(C)C)O)O)C=O)O)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cueto; Jensen; Kauffman; Fenical; Lobkovsky; Clardy Pestalone, a new antibiotic produced by a marine fungus in response to bacterial challenge Journal of Natural Products 2001 64 (11) 1444-1446. | ||
|---|---|---|---|
| DOI | 10.1021/np0102713 | PMID | 11720529 |
SYNTHESES
| CITATION 1 | Augner D; Krut O; Slavov N; Gerbino DC; Sahl HG; Benting J; Nising CF; Hillebrand S; Krönke M; Schmalz HG On the antibiotic and antifungal activity of pestalone, pestalachloride A, and structurally related compounds. Journal of Natural Products 2013 76 (8) 1519-1522. DOI: 10.1021/np400301d PMID: 23905700 | ||
|---|---|---|---|
| CITATION 2 | Slavov N; Cvengroš J; Neudörfl JM; Schmalz HG Total synthesis of the marine antibiotic pestalone and its surprisingly facile conversion into pestalalactone and pestalachloride A. Angewandte Chemie International Edition 2010 49 (41) 7588-7591. DOI: 10.1002/anie.201003755 PMID: 21038453 | ||
