Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000478539 | Silver | 1-Alaninechlamydocin_130134 |
| CCMSLIB00000478540 | Silver | 1-Alaninechlamydocin_130134 |
COMPOUND NPA008967
PROPERTIES
| NPAID | NPA008967 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | 1-alaninechlamydocin |
| FORMULA | C27H36N4O6 |
| MOLECULAR WEIGHT (Da) | 512.6070 |
| ACCURATE MASS (Da) | 512.2635 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Tolypocladium |
| ORIGIN SPECIES | sp. |
| InChIKey | QMNUPNOLDLHVTB-IWDBHXEASA-N |
| InChI | InChI=1S/C27H36N4O6/c1-17-24(33)30-20(15-18-9-4-2-5-10-18)27(36)31-14-8-12-21(31)26(35)29-19(25(34)28-17)11-6-3-7-13-22(32)23-16-37-23/h2,4-5,9-10,17,19-21,23H,3,6-8,11-16H2,1H3,(H,28,34)(H,29,35)(H,30,33)/t17-,19-,20-,21+,23-/m0/s1 |
| SMILES | C[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@@H]2C(=O)N[C@H](C(=O)N1)CCCCCC(=O)[C@@H]3CO3)CC4=CC=CC=C4 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Du, Lin; Risinger, April L.; King, Jarrod B.; Powell, Douglas R.; Cichewicz, Robert H. A potent HDAC inhibitor, 1-alaninechlamydocin, from a Tolypocladium sp. induces G2/M cell cycle arrest and apoptosis in MIA PaCa-2 cells Journal of Natural Products 2014 77 (7) 1753-1757. | ||
|---|---|---|---|
| DOI | 10.1021/np500387h | PMID | 24999749 |
