Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004712958 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004712959 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004712960 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004712961 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004712962 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004712963 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004712964 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004712965 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004712966 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004712967 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004712968 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004712969 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004712970 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004712971 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004712972 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00004688992 | Bronze | (8aR,12S,12aR)-12-hydroxy-4-methyl-4,5,6,7,8,8a,12,12a-octahydro-1H-3-benzoxecine-2,9-dione |
| CCMSLIB00000851569 | Gold | 1!CCMSLIB00000851572 |
| CCMSLIB00012128960 | Gold | 4 |
| CCMSLIB00009968757 | Gold | 4 |
COMPOUND NPA012507
PROPERTIES
| NPAID | NPA012507 |
|---|---|
| CLUSTER ID | 16 |
| NODE ID | 16 |
| NAME | Sch 642305 |
| FORMULA | C14H20O4 |
| MOLECULAR WEIGHT (Da) | 252.3100 |
| ACCURATE MASS (Da) | 252.1362 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | verrucosum |
| InChIKey | WTQWDNIIFGEBSZ-WGBDABJCSA-N |
| InChI | InChI=1S/C14H20O4/c1-9-4-2-3-5-10-11(8-14(17)18-9)13(16)7-6-12(10)15/h6-7,9-11,13,16H,2-5,8H2,1H3/t9-,10+,11+,13-/m0/s1 |
| SMILES | C[C@H]1CCCC[C@@H]2[C@@H](CC(=O)O1)[C@H](C=CC2=O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Chu, Min; Mierzwa, Ronald; Xu, Ling; He, Ling; Terracciano, Joseph; Patel, Mahesh; Gullo, Vincent; Black, Todd; Zhao, Wenjun; Chan, Tze-Ming; McPhail, Andrew T. Isolation and Structure Elucidation of Sch 642305, a Novel Bacterial DNA Primase Inhibitor Produced by Penicillium verrucosum Journal of Natural Products 2003 66 (12) 1527-1530. | ||
|---|---|---|---|
| DOI | 10.1021/np0302302 | PMID | 14695789 |
SYNTHESES
| CITATION 1 | Mehta G; Shinde HM Enantioselective total synthesis of bioactive natural product (+)-Sch 642305: a structurally novel inhibitor of bacterial DNA primase and HIV-1 Tat transactivation. Chemical Communications 2005 (29) 3703-3705. DOI: 10.1039/b505264e PMID: 16027917 | ||
|---|---|---|---|
