Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020323
PROPERTIES
| NPAID | NPA020323 |
|---|---|
| CLUSTER ID | 6439 |
| NODE ID | 4452 |
| NAME | Ecteinascidin 743 |
| FORMULA | C39H43N3O11S |
| MOLECULAR WEIGHT (Da) | 761.8500 |
| ACCURATE MASS (Da) | 761.2618 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Unknown-bacterium |
| ORIGIN SPECIES | sp. |
| InChIKey | PKVRCIRHQMSYJX-XHKCZRNKSA-N |
| InChI | InChI=1S/C39H43N3O11S/c1-16-9-20-10-22-37(46)42-23-13-50-38(47)39(21-12-25(48-5)24(44)11-19(21)7-8-40-39)14-54-36(30(42)29(41(22)4)26(20)31(45)32(16)49-6)28-27(23)35-34(51-15-52-35)17(2)33(28)53-18(3)43/h9,11-12,22-23,29-30,36-37,40,44-46H,7-8,10,13-15H2,1-6H3/t22?,23?,29?,30?,36-,37-,39-/m0/s1 |
| SMILES | CC1=C(C(=C2C3C4[C@@H]5C6=C(C(N4[C@H](C(N3C)CC2=C1)O)COC(=O)[C@]7(CS5)C8=CC(=C(C=C8CCN7)O)OC)C9=C(C(=C6OC(=O)C)C)OCO9)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rath CM; Janto B; Earl J; Ahmed A; Hu FZ; Hiller L; Dahlgren M; Kreft R; Yu F; Wolff JJ; Kweon HK; Christiansen MA; Håkansson K; Williams RM; Ehrlich GD; Sherman DH Meta-omic characterization of the marine invertebrate microbial consortium that produces the chemotherapeutic natural product ET-743. ACS Chemical Biology 2011 6 (11) 1244-1256. | ||
|---|---|---|---|
| DOI | 10.1021/cb200244t | PMID | 21875091 |
SYNTHESES
| CITATION 1 | Endo A; Yanagisawa A; Abe M; Tohma S; Kan T; Fukuyama T Total synthesis of ecteinascidin 743. Journal of the American Chemical Society 2002 124 (23) 6552-4. DOI: 10.1021/ja026216d PMID: 12047173 | ||
|---|---|---|---|
| CITATION 2 | Chen J; Chen X; Bois-Choussy M; Zhu J Total synthesis of ecteinascidin 743. Journal of the American Chemical Society 2006 128 (1) 87-9. DOI: 10.1021/ja0571794 PMID: 16390134 | ||
| CITATION 3 | Zheng S; Chan C; Furuuchi T; Wright BJ; Zhou B; Guo J; Danishefsky SJ Stereospecific formal total synthesis of ecteinascidin 743. Angewandte Chemie International Edition 2006 45 (11) 1754-9. DOI: 10.1002/anie.200503983 PMID: 16496274 | ||
| CITATION 4 | Kawagishi F; Toma T; Inui T; Yokoshima S; Fukuyama T Total synthesis of ecteinascidin 743. Journal of the American Chemical Society 2013 135 (37) 13684-7. DOI: 10.1021/ja408034x PMID: 24001124 | ||
