Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009442
PROPERTIES
| NPAID | NPA009442 |
|---|---|
| CLUSTER ID | 971 |
| NODE ID | 838 |
| NAME | Kibdelone A |
| FORMULA | C29H24ClNO10 |
| MOLECULAR WEIGHT (Da) | 581.9610 |
| ACCURATE MASS (Da) | 581.1089 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Kibdelosporangium |
| ORIGIN SPECIES | sp. MST‚Äê108465 |
| InChIKey | VXXQRIDYOXHDCN-MZFXBISCSA-N |
| InChI | InChI=1S/C29H24ClNO10/c1-4-5-11-20(30)16-17(29(39)31(11)2)23(36)14-9(21(16)34)6-7-10-15(14)24(37)19-25(38)18-22(35)12(32)8-13(33)27(18)41-28(19)26(10)40-3/h6-7,12-13,22,32-33,35,37H,4-5,8H2,1-3H3/t12-,13-,22-/m0/s1 |
| SMILES | CCCC1=C(C2=C(C(=O)C3=C(C2=O)C=CC4=C3C(=C5C(=C4OC)OC6=C(C5=O)[C@H]([C@H](C[C@@H]6O)O)O)O)C(=O)N1C)Cl |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ratnayake, Ranjala; Lacey, Ernest; Tennant, Shaun; Gill, Jennifer H; Capon, Robert J Kibdelones: novel anticancer polyketides from a rare Australian actinomycete Chemistry - A European Journal 2007 13 (5) 1610-1619. | ||
|---|---|---|---|
| DOI | 10.1002/chem.200601236 | PMID | 17091523 |
SYNTHESES
| CITATION 1 | Winter DK; Endoma-Arias MA; Hudlicky T; Beutler JA; Porco JA Enantioselective total synthesis and biological evaluation of (+)-kibdelone A and a tetrahydroxanthone analogue. Journal of Organic Chemistry 2013 78 (15) 7617-26. DOI: 10.1021/jo401169z PMID: 23834060 | ||
|---|---|---|---|
