Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016360
PROPERTIES
| NPAID | NPA016360 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Shornephine A |
| FORMULA | C25H26N2O5 |
| MOLECULAR WEIGHT (Da) | 434.4920 |
| ACCURATE MASS (Da) | 434.1842 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. (CMB-M081F) |
| InChIKey | VMKCIRAJEVFSFR-LQTXRJQHSA-N |
| InChI | InChI=1S/C25H26N2O5/c1-4-23(2,3)25-24(31,16-11-8-12-18(28)20(16)26-25)14-17-22(30)32-19(21(29)27(17)25)13-15-9-6-5-7-10-15/h4-12,17,19,26,28,31H,1,13-14H2,2-3H3/t17-,19-,24-,25+/m0/s1 |
| SMILES | CC(C)(C=C)[C@]12[C@](C[C@@H]3N1C(=O)[C@@H](OC3=O)CC4=CC=CC=C4)(C5=C(N2)C(=CC=C5)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Khalil, Zeinab G.; Huang, Xiao-Cong; Raju, Ritesh; Piggott, Andrew M.; Capon, Robert J. Shornephine A: Structure, chemical stability, and P-glycoprotein inhibitory properties of a rare diketomorpholine from an Australian marine-derived Aspergillus sp Journal of Organic Chemistry 2014 79 (18) 8700-8705. | ||
|---|---|---|---|
| DOI | 10.1021/jo501501z | PMID | 25158286 |
