Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020287
PROPERTIES
| NPAID | NPA020287 |
|---|---|
| CLUSTER ID | 279 |
| NODE ID | 253 |
| NAME | Chaetocin |
| FORMULA | C30H28N6O6S4 |
| MOLECULAR WEIGHT (Da) | 696.8580 |
| ACCURATE MASS (Da) | 696.0953 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Chaetomium |
| ORIGIN SPECIES | minutum |
| InChIKey | PZPPOCZWRGNKIR-NAUSJNOYSA-N |
| InChI | InChI=1S/C30H28N6O6S4/c1-33-21(39)27-11-25(15-7-3-5-9-17(15)31-19(25)35(27)23(41)29(33,13-37)45-43-27)26-12-28-22(40)34(2)30(14-38,46-44-28)24(42)36(28)20(26)32-18-10-6-4-8-16(18)26/h3-10,19-20,31-32,37-38H,11-14H2,1-2H3/t19-,20+,25-,26-,27+,28-,29-,30+/m0/s1 |
| SMILES | CN1C(=O)[C@@]23C[C@]4([C@@H](N2C(=O)[C@]1(SS3)CO)NC5=CC=CC=C54)[C@]67C[C@@]89C(=O)N([C@](C(=O)N8[C@@H]6NC1=CC=CC=C71)(SS9)CO)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Hauser D; Weber HP; Sigg HP [Isolation and configuration of Chaetocin]. Helvetica Chimica Acta 1970 53 (5) 1061-1073. | ||
|---|---|---|---|
| DOI | 10.1002/hlca.19700530521 | PMID | 5448218 |
SYNTHESES
| CITATION 1 | Iwasa E; Hamashima Y; Fujishiro S; Higuchi E; Ito A; Yoshida M; Sodeoka M Total synthesis of (+)-chaetocin and its analogues: their histone methyltransferase G9a inhibitory activity. Journal of the American Chemical Society 2010 132 (12) 4078-9. DOI: 10.1021/ja101280p PMID: 20210309 | ||
|---|---|---|---|
