Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019407
PROPERTIES
| NPAID | NPA019407 |
|---|---|
| CLUSTER ID | 83 |
| NODE ID | 78 |
| NAME | Haematocin |
| FORMULA | C24H26N2O6S2 |
| MOLECULAR WEIGHT (Da) | 502.6140 |
| ACCURATE MASS (Da) | 502.1232 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Nectria |
| ORIGIN SPECIES | haematococca Berk. et Br. (880701a-1) |
| InChIKey | FPNHTLQJBSBNHG-KHTMQFLISA-N |
| InChI | InChI=1S/C24H26N2O6S2/c1-13(27)31-17-9-5-7-15-11-23(33-3)22(30)26-20-16(8-6-10-18(20)32-14(2)28)12-24(26,34-4)21(29)25(23)19(15)17/h5-10,17-20H,11-12H2,1-4H3/t17-,18-,19-,20-,23+,24+/m0/s1 |
| SMILES | CC(=O)O[C@H]1C=CC=C2[C@@H]1N3C(=O)[C@@]4(CC5=CC=C[C@@H]([C@H]5N4C(=O)[C@@]3(C2)SC)OC(=O)C)SC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Suzuki, Yoshikatsu; Takahashi, Hiroshi; Esumi, Yasuaki; Arie, Tsutomu; Morita, Tetsuichiro; Koshino, Hiroyuki; Uzawa, Jun; Uramoto, Masakazu; Yamaguchi, Isamu Haematocin, a new antifungal diketopiperazine produced by Nectria haematococca Berk. et Br. (880701a-1) causing Nectria blight disease on ornamental plants Journal of Antibiotics 2000 53 (1) 45-49. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.53.45 | PMID | 10724007 |
SYNTHESES
| CITATION 1 | Nicolaou KC; Lu M; Totokotsopoulos S; Heretsch P; Giguère D; Sun YP; Sarlah D; Nguyen TH; Wolf IC; Smee DF; Day CW; Bopp S; Winzeler EA Synthesis and biological evaluation of epidithio-, epitetrathio-, and bis-(methylthio)diketopiperazines: synthetic methodology, enantioselective total synthesis of epicoccin G, 8,8'-epi-ent-rostratin B, gliotoxin, gliotoxin G, emethallicin E, and haematocin and discovery of new antiviral and antimalarial agents. Journal of the American Chemical Society 2012 134 (41) 17320-17332. DOI: 10.1021/ja308429f PMID: 22978674 | ||
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