Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00012184005 | Gold | 3 |
COMPOUND NPA003192
PROPERTIES
| NPAID | NPA003192 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | WIN 64821 |
| FORMULA | C40H36N6O4 |
| MOLECULAR WEIGHT (Da) | 664.7660 |
| ACCURATE MASS (Da) | 664.2798 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp strain SC319 |
| InChIKey | ZEANERNKMXBETI-RHBMHTMXSA-N |
| InChI | InChI=1S/C40H36N6O4/c47-33-31-21-39(25-15-7-9-17-27(25)43-37(39)45(31)35(49)29(41-33)19-23-11-3-1-4-12-23)40-22-32-34(48)42-30(20-24-13-5-2-6-14-24)36(50)46(32)38(40)44-28-18-10-8-16-26(28)40/h1-18,29-32,37-38,43-44H,19-22H2,(H,41,47)(H,42,48)/t29-,30-,31-,32-,37+,38+,39-,40?/m0/s1 |
| SMILES | C1[C@H]2C(=O)N[C@H](C(=O)N2[C@@H]3[C@]1(C4=CC=CC=C4N3)C56C[C@H]7C(=O)N[C@H](C(=O)N7[C@H]5NC8=CC=CC=C68)CC9=CC=CC=C9)CC1=CC=CC=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Sedlock; Barrow; Brownell; Hong; Gillum; Houck WIN 64821, a novel neurokinin antagonist produced by an Aspergillus sp. - I: Fermentation and isolation Journal of Antibiotics 1994 47 (4) 391-398. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.47.391 | PMID | 7515037 |
SYNTHESES
| CITATION 1 | Movassaghi M; Schmidt MA; Ashenhurst JA Concise total synthesis of (+)-WIN 64821 and (-)-ditryptophenaline. Angewandte Chemie International Edition 2008 47 (8) 1485-1487. DOI: 10.1002/anie.200704960 PMID: 18189262 | ||
|---|---|---|---|
| CITATION 2 | Wada M; Murata T; Oikawa H; Oguri H Nickel-catalyzed dimerization of pyrrolidinoindoline scaffolds: systematic access to chimonanthines, folicanthines and (+)-WIN 64821. Organic & Biomolecular Chemistry 2014 12 (2) 298-306. DOI: 10.1039/c3ob41918e PMID: 24217772 | ||
| CITATION 3 | Pérez-Balado C; de Lera AR Expedient total syntheses of WIN 64745 and WIN 64821. Organic Letters 2008 10 (17) 3701-3704. DOI: 10.1021/ol8013073 PMID: 18680309 | ||
