Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002977
PROPERTIES
| NPAID | NPA002977 |
|---|---|
| CLUSTER ID | 279 |
| NODE ID | 253 |
| NAME | Gliocladine C |
| FORMULA | C23H20N4O3S2 |
| MOLECULAR WEIGHT (Da) | 464.5720 |
| ACCURATE MASS (Da) | 464.0977 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Gliocladium |
| ORIGIN SPECIES | roseum |
| InChIKey | MRBZKCMQZBKXMZ-PHXJMUFTSA-N |
| InChI | InChI=1S/C23H20N4O3S2/c1-21-19(29)27-18-22(13-8-4-6-10-16(13)25-18,14-11-24-15-9-5-3-7-12(14)15)17(28)23(27,32-31-21)20(30)26(21)2/h3-11,17-18,24-25,28H,1-2H3/t17-,18+,21-,22+,23-/m0/s1 |
| SMILES | C[C@]12C(=O)N3[C@@H]4[C@]([C@@H]([C@@]3(C(=O)N1C)SS2)O)(C5=CC=CC=C5N4)C6=CNC7=CC=CC=C76 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Dong, Jin-Yan; He, Hong-Ping; Shen, Yue-Mao; Zhang, Ke-Qin Nematicidal epipolysulfanyldioxopiperazines from Gliocladium roseum Journal of Natural Products 2005 68 (10) 1510-1513. | ||
|---|---|---|---|
| DOI | 10.1021/np0502241 | PMID | 16252916 |
SYNTHESES
| CITATION 1 | DeLorbe JE; Jabri SY; Mennen SM; Overman LE; Zhang FL Enantioselective total synthesis of (+)-gliocladine C: convergent construction of cyclotryptamine-fused polyoxopiperazines and a general approach for preparing epidithiodioxopiperazines from trioxopiperazine precursors. Journal of the American Chemical Society 2011 133 (17) 6549-6552. DOI: 10.1021/ja201789v PMID: 21473649 | ||
|---|---|---|---|
