Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000781
PROPERTIES
| NPAID | NPA000781 |
|---|---|
| CLUSTER ID | 554 |
| NODE ID | 11 |
| NAME | Calothrixin A |
| FORMULA | C19H10N2O3 |
| MOLECULAR WEIGHT (Da) | 314.3000 |
| ACCURATE MASS (Da) | 314.0691 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Calothrix |
| ORIGIN SPECIES | sp. |
| InChIKey | CMDAFIAGTOCRGL-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H10N2O3/c22-18-12-9-21(24)14-8-4-2-6-11(14)15(12)19(23)17-16(18)10-5-1-3-7-13(10)20-17/h1-9,20H |
| SMILES | C1=CC=C2C(=C1)C3=C(N2)C(=O)C4=C(C3=O)C=[N+](C5=CC=CC=C54)[O-] |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rickards, Rodney W.; Rothschild, Jennifer M.; Willis, Anthony C.; Chazal, Nola M. de; Kirk, Julie; Kirk, Kiaran; Saliba, Kevin J.; Smith, Geoffrey D. Calothrixins A and B, novel pentacyclic metabolites from Calothrix cyanobacteria with potent activity against malaria parasites and human cancer cells Tetrahedron 1999 55 (47) 13513-13520. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(99)00833-9 | PMID | - |
SYNTHESES
| CITATION 1 | Ramkumar N; Nagarajan R Total synthesis of Calothrixin A and B via C-H activation. Journal of Organic Chemistry 2013 78 (6) 2802-7. DOI: 10.1021/jo302821v PMID: 23421392 | ||
|---|---|---|---|
| CITATION 2 | Mori-Quiroz LM; Dekarske MM; Prinkki AB; Clift MD Exploiting Alkylquinone Tautomerization for the Total Synthesis of Calothrixin A and B. Journal of Organic Chemistry 2017 82 (23) 12257-12266. DOI: 10.1021/acs.joc.7b02101 PMID: 29086565 | ||
