Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000851766 | Gold | 1!CCMSLIB00000851768 |
| CCMSLIB00012132702 | Gold | 4 |
| CCMSLIB00012132701 | Gold | 4 |
| CCMSLIB00012132704 | Gold | 4 |
| CCMSLIB00012132707 | Gold | 4 |
| CCMSLIB00012132708 | Gold | 4 |
| CCMSLIB00012132703 | Gold | 4 |
| CCMSLIB00012132706 | Gold | 4 |
| CCMSLIB00012132705 | Gold | 4 |
| CCMSLIB00009972499 | Gold | 4 |
| CCMSLIB00009972498 | Gold | 4 |
| CCMSLIB00009972501 | Gold | 4 |
| CCMSLIB00009972504 | Gold | 4 |
| CCMSLIB00009972505 | Gold | 4 |
| CCMSLIB00009972500 | Gold | 4 |
| CCMSLIB00009972503 | Gold | 4 |
| CCMSLIB00009972502 | Gold | 4 |
COMPOUND NPA000917
PROPERTIES
| NPAID | NPA000917 |
|---|---|
| CLUSTER ID | 642 |
| NODE ID | 570 |
| NAME | Berkedrimane B |
| FORMULA | C22H33NO6 |
| MOLECULAR WEIGHT (Da) | 407.5070 |
| ACCURATE MASS (Da) | 407.2308 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | solitum |
| InChIKey | DFGYGTWTXGTQIC-FIOCPMRGSA-N |
| InChI | InChI=1S/C22H33NO6/c1-12(2)17(23-13(3)24)19(26)29-16-9-10-20(4,5)15-8-7-14-18(25)28-11-22(14,27)21(15,16)6/h7,12,15-17,27H,8-11H2,1-6H3,(H,23,24)/t15-,16-,17-,21+,22+/m0/s1 |
| SMILES | CC(C)[C@@H](C(=O)O[C@H]1CCC([C@H]2[C@]1([C@]3(COC(=O)C3=CC2)O)C)(C)C)NC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Stierle, Donald B.; Stierle, Andrea A.; Girtsman, Teri; McIntyre, Kyle; Nichols, Jesse Caspase-1 and -3 inhibiting drimane sesquiterpenoids from the extremophilic fungus Penicillium solitum Journal of Natural Products 2012 75 (2) 262-266. | ||
|---|---|---|---|
| DOI | 10.1021/np200528n | PMID | 22276851 |
