Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA011510
PROPERTIES
| NPAID | NPA011510 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Homocereulide |
| FORMULA | C58H98N6O18 |
| MOLECULAR WEIGHT (Da) | 1167.4460 |
| ACCURATE MASS (Da) | 1166.6938 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Bacillus |
| ORIGIN SPECIES | cereus |
| InChIKey | CFCIXEUIPLBOOH-SORGKVSXSA-N |
| InChI | InChI=1S/C58H98N6O18/c1-22-34(18)46-52(70)64-43(31(12)13)58(76)79-39(24-27(4)5)48(66)60-36(20)54(72)81-44(32(14)15)50(68)62-41(29(8)9)56(74)77-38(23-26(2)3)47(65)59-35(19)53(71)80-45(33(16)17)51(69)63-42(30(10)11)57(75)78-40(25-28(6)7)49(67)61-37(21)55(73)82-46/h26-46H,22-25H2,1-21H3,(H,59,65)(H,60,66)(H,61,67)(H,62,68)(H,63,69)(H,64,70)/t34-,35?,36?,37?,38?,39?,40?,41?,42?,43?,44?,45?,46?/m0/s1 |
| SMILES | CC[C@H](C)C1C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)OC(C(=O)NC(C(=O)O1)C)CC(C)C)C(C)C)C(C)C)C)CC(C)C)C(C)C)C(C)C)C)CC(C)C)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Wang, Gui-Yang-Sheng; Kuramoto, Makoto; Yamada, Kaoru; Yazawa, Kazunaga; Uemura, Daisuke Homocereulide, an extremely potent cytotoxic depsipeptide from the marine bacterium Bacillus cereus Chemistry Letters 1995 24 (9) 791-792. | ||
|---|---|---|---|
| DOI | 10.1246/cl.1995.791 | PMID | - |
SYNTHESES
| CITATION 1 | Naka T; Hattori Y; Takenaka H; Ohta Y; Kirihata M; Tanimori S Synthesis of the reported structure of homocereulide and its vacuolation assay. Bioorganic and Medicinal Chemistry Letters 2019 29 (5) 734-739. DOI: 10.1016/j.bmcl.2019.01.007 PMID: 30665680 | ||
|---|---|---|---|
