Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000701
PROPERTIES
| NPAID | NPA000701 |
|---|---|
| CLUSTER ID | 506 |
| NODE ID | 455 |
| NAME | IB-00208 |
| FORMULA | C36H34O12 |
| MOLECULAR WEIGHT (Da) | 658.6560 |
| ACCURATE MASS (Da) | 658.2050 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Actinomadura |
| ORIGIN SPECIES | sp BL-42-PO13-046 |
| InChIKey | VOUCFZRNPMNYDQ-UHFFFAOYSA-N |
| InChI | InChI=1S/C36H34O12/c1-13-12-19-24(35(41)45-13)28(38)23-18(32(19)48-36-15(3)31(44-7)14(2)16(4)46-36)9-8-17-22(23)29(39)26-30(40)25-20(42-5)10-11-21(43-6)33(25)47-34(26)27(17)37/h8-11,13-16,31,36,38H,12H2,1-7H3 |
| SMILES | CC1CC2=C(C3=C(C4=C(C=C3)C(=O)C5=C(C4=O)C(=O)C6=C(C=CC(=C6O5)OC)OC)C(=C2C(=O)O1)O)OC7C(C(C(C(O7)C)C)OC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | MALET-CASCÓN, LEYRE; ROMERO, FRANCISCO; ESPLIEGO-VÁZQUEZ, FERNANDO; GRÁVALOS, DOLORES; FERNÁNDEZ-PUENTES, JOSÉ LUIS IB-00208, a New Cytotoxic Polycyclic Xanthone Produced by a Marine-derived Actinomadura. I. Isolation of the Strain, Taxonomy and Biological Activites Journal of Antibiotics 2003 56 (3) 219-225. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.56.219 | PMID | 12760677 |
SYNTHESES
| CITATION 1 | Yang J; Knueppel D; Cheng B; Mans D; Martin SF Approaches to polycyclic 1,4-dioxygenated xanthones. Application to total synthesis of the aglycone of IB-00208. Organic Letters 2015 17 (1) 114-7. DOI: 10.1021/ol503336t PMID: 25513888 | ||
|---|---|---|---|
| CITATION 2 | Knueppel D; Yang J; Cheng B; Mans D; Martin SF Total Synthesis of the Aglycone of IB-00208. Tetrahedron 2015 71 (35) 5741-5757. DOI: 10.1016/j.tet.2015.05.024 PMID: 26273110 | ||
