Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014803
PROPERTIES
| NPAID | NPA014803 |
|---|---|
| CLUSTER ID | 5231 |
| NODE ID | 3737 |
| NAME | Welwitindolinone A isonitrile |
| FORMULA | C21H21ClN2O |
| MOLECULAR WEIGHT (Da) | 352.8650 |
| ACCURATE MASS (Da) | 352.1342 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Hapalosiphon |
| ORIGIN SPECIES | welwitschii |
| InChIKey | XLRFBPJWPHKLJV-OKKVMHGVSA-N |
| InChI | InChI=1S/C21H21ClN2O/c1-6-20(4)15(22)11-13-16(17(20)23-5)21(19(13,2)3)12-9-7-8-10-14(12)24-18(21)25/h6-10,13,15H,1,11H2,2-4H3,(H,24,25)/t13-,15+,20+,21+/m0/s1 |
| SMILES | C[C@]1([C@@H](C[C@H]2C(=C1[N+]#[C-])[C@]3(C2(C)C)C4=CC=CC=C4NC3=O)Cl)C=C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Moore, Richard E.;Yang, Xu-Qiang G ; Patterson, Gregory M. L. Fontonamide and Anhydrohapaloxindole A, Two New Alkaloids from the Blue-Green Alga Hapalosiphon fontinalis Journal of the American Chemical Society 1987 52 (17) 3773-3777. | ||
|---|---|---|---|
| DOI | 10.1021/jo00226a009 | PMID | - |
SYNTHESES
| CITATION 1 | Reisman SE; Ready JM; Hasuoka A; Smith CJ; Wood JL Total synthesis of (+/-)-welwitindolinone a isonitrile. Journal of the American Chemical Society 2006 128 (5) 1448-9. DOI: 10.1021/ja057640s PMID: 16448105 | ||
|---|---|---|---|
| CITATION 2 | Reisman SE; Ready JM; Weiss MM; Hasuoka A; Hirata M; Tamaki K; Ovaska TV; Smith CJ; Wood JL Evolution of a synthetic strategy: total synthesis of (+/-)-welwitindolinone A isonitrile. Journal of the American Chemical Society 2008 130 (6) 2087-100. DOI: 10.1021/ja076663z PMID: 18198870 | ||
