Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478459 | Silver | Circumdatin&F_130023 |
COMPOUND NPA013904
PROPERTIES
| NPAID | NPA013904 |
|---|---|
| CLUSTER ID | 2236 |
| NODE ID | 399 |
| NAME | Circumdatin F |
| FORMULA | C17H13N3O2 |
| MOLECULAR WEIGHT (Da) | 291.3100 |
| ACCURATE MASS (Da) | 291.1008 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | ochraceus |
| InChIKey | QMACPZZZSHLKJM-JTQLQIEISA-N |
| InChI | InChI=1S/C17H13N3O2/c1-10-15-19-13-8-4-2-6-11(13)17(22)20(15)14-9-5-3-7-12(14)16(21)18-10/h2-10H,1H3,(H,18,21)/t10-/m0/s1 |
| SMILES | C[C@H]1C2=NC3=CC=CC=C3C(=O)N2C4=CC=CC=C4C(=O)N1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rahbaek, Lisa; Breinholt, Jens Circumdatins D, E, and F: Further fungal benzodiazepine analogues from Aspergillus ochraceus Journal of Natural Products 1999 62 (6) 904-905. | ||
|---|---|---|---|
| DOI | 10.1021/np980495u | PMID | 10395516 |
SYNTHESES
| CITATION 1 | Tseng MC; Yang HY; Chu YH Total synthesis of asperlicin C, circumdatin F, demethylbenzomalvin A, demethoxycircumdatin H, sclerotigenin, and other fused quinazolinones. Organic & Biomolecular Chemistry 2010 8 (2) 419-427. DOI: 10.1039/b910545j PMID: 20066279 | ||
|---|---|---|---|
| CITATION 2 | Tseng MC; Lai CY; Chu YW; Chu YH Tin triflate-mediated total synthesis of circumdatin F, sclerotigenin, asperlicin C, and other quinazolino[3,2-a][1,4]benzodiazepines. Chemical Communications 2009 (4) 445-447. DOI: 10.1039/b813880j PMID: 19137180 | ||
