Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008726
PROPERTIES
| NPAID | NPA008726 |
|---|---|
| CLUSTER ID | 1020 |
| NODE ID | 879 |
| NAME | Ambewelamide A |
| FORMULA | C24H24N2O8S2 |
| MOLECULAR WEIGHT (Da) | 532.5960 |
| ACCURATE MASS (Da) | 532.0974 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Usnea |
| ORIGIN SPECIES | sp. |
| InChIKey | OBYDDBDJKUQGLS-BIQXIOCUSA-N |
| InChI | InChI=1S/C24H24N2O8S2/c1-3-4-14(28)32-13-6-11-8-24-22(30)25-15-10(5-12(31-9(2)27)17-19(15)33-17)7-23(25,35-36-24)21(29)26(24)16(11)20-18(13)34-20/h5-6,12-13,15-20H,3-4,7-8H2,1-2H3/t12-,13-,15-,16-,17-,18-,19+,20+,23+,24+/m0/s1 |
| SMILES | CCCC(=O)O[C@H]1C=C2C[C@@]34C(=O)N5[C@@H]6[C@@H]7[C@@H](O7)[C@H](C=C6C[C@]5(C(=O)N3[C@@H]2[C@@H]8[C@H]1O8)SS4)OC(=O)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Williams, David E.; Bombuwala, Karunananda; Lobkovsky, Emil; De Silva, E. Dilip; Karunaratne, Veranja; Allen, Theresa M.; Clardy, Jon; Andersen, Raymond J. Ambewelamides A and B, antineoplastic epidithiapiperazinediones isolated from the lichen Usnea sp Tetrahedron Letters 1998 39 (52) 9579-9582. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4039(98)02277-1 | PMID | - |
