Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004108
PROPERTIES
| NPAID | NPA004108 |
|---|---|
| CLUSTER ID | 193 |
| NODE ID | 181 |
| NAME | Malbrancheamide B |
| FORMULA | C21H24ClN3O |
| MOLECULAR WEIGHT (Da) | 369.8960 |
| ACCURATE MASS (Da) | 369.1608 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Malbranchea |
| ORIGIN SPECIES | aurantiaca |
| InChIKey | DXPVAKSJZFQGSS-DQLDELGASA-N |
| InChI | InChI=1S/C21H24ClN3O/c1-19(2)16-10-21-6-3-7-25(21)11-20(16,24-18(21)26)9-14-13-5-4-12(22)8-15(13)23-17(14)19/h4-5,8,16,23H,3,6-7,9-11H2,1-2H3,(H,24,26)/t16-,20+,21-/m0/s1 |
| SMILES | CC1([C@@H]2C[C@]34CCCN3C[C@@]2(CC5=C1NC6=C5C=CC(=C6)Cl)NC4=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Figueroa, Mario; González, María Del Carmen; Mata, Rachel Malbrancheamide B, a novel compound from the fungus Malbranchea aurantiaca 1 Natural Product Research 2008 22 (8) 709-714. | ||
|---|---|---|---|
| DOI | 10.1080/14786410802012361 | PMID | 18569711 |
SYNTHESES
| CITATION 1 | Miller KA; Welch TR; Greshock TJ; Ding Y; Sherman DH; Williams RM Biomimetic total synthesis of malbrancheamide and malbrancheamide B. Journal of Organic Chemistry 2008 73 (8) 3116-3119. DOI: 10.1021/jo800116y PMID: 18345688 | ||
|---|---|---|---|
| CITATION 2 | Laws SW; Scheerer JR Enantioselective synthesis of (+)-malbrancheamide B. Journal of Organic Chemistry 2013 78 (6) 2422-9. DOI: 10.1021/jo3026059 PMID: 23360221 | ||
