Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA013206
PROPERTIES
| NPAID | NPA013206 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Aspergilazine A |
| FORMULA | C32H32N6O4 |
| MOLECULAR WEIGHT (Da) | 564.6460 |
| ACCURATE MASS (Da) | 564.2485 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | taichungensis (ZHN-7) |
| InChIKey | JEMUKHUDECTHAQ-XEZODYMFSA-N |
| InChI | InChI=1S/C32H32N6O4/c39-29-27-7-3-11-36(27)31(41)24(34-29)13-18-16-33-23-10-9-20(15-22(18)23)38-17-19(21-5-1-2-6-26(21)38)14-25-32(42)37-12-4-8-28(37)30(40)35-25/h1-2,5-6,9-10,15-17,24-25,27-28,33H,3-4,7-8,11-14H2,(H,34,39)(H,35,40)/t24-,25-,27-,28-/m0/s1 |
| SMILES | C1C[C@H]2C(=O)N[C@H](C(=O)N2C1)CC3=CNC4=C3C=C(C=C4)N5C=C(C6=CC=CC=C65)C[C@H]7C(=O)N8CCC[C@H]8C(=O)N7 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cai, Shengxin; Kong, Xianglan; Wang, Wei; Zhou, Huinan; Zhu, Tianjiao; Li, Dehai; Gu, Qianqun Aspergilazine A, a diketopiperazine dimer with a rare N-1 to C-6 linkage, from a marine-derived fungus Aspergillus taichungensis Tetrahedron Letters 2012 53 (21) 2615-2617. | ||
|---|---|---|---|
| DOI | 10.1016/j.tetlet.2012.03.043 | PMID | - |
SYNTHESES
| CITATION 1 | Boyd EM; Sperry J Total synthesis of (-)-aspergilazine A. Organic Letters 2014 16 (19) 5056-5059. DOI: 10.1021/ol5024097 PMID: 25248025 | ||
|---|---|---|---|
