Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000855009 | Gold | 1 |
COMPOUND NPA015881
PROPERTIES
| NPAID | NPA015881 |
|---|---|
| CLUSTER ID | 642 |
| NODE ID | 570 |
| NAME | Berkedrimane A |
| FORMULA | C22H33NO5 |
| MOLECULAR WEIGHT (Da) | 391.5080 |
| ACCURATE MASS (Da) | 391.2359 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | solitum |
| InChIKey | HZCZALMQVYCUGC-CXJSAQCFSA-N |
| InChI | InChI=1S/C22H33NO5/c1-12(2)18(23-13(3)24)20(26)28-17-9-10-21(4,5)16-8-7-14-15(22(16,17)6)11-27-19(14)25/h7,12,15-18H,8-11H2,1-6H3,(H,23,24)/t15-,16-,17-,18-,22+/m0/s1 |
| SMILES | CC(C)[C@@H](C(=O)O[C@H]1CCC([C@H]2[C@]1([C@H]3COC(=O)C3=CC2)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 |
