Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA002504
PROPERTIES
| NPAID | NPA002504 |
|---|---|
| CLUSTER ID | 616 |
| NODE ID | 549 |
| NAME | Dixiamycin B |
| FORMULA | C46H48N2O6 |
| MOLECULAR WEIGHT (Da) | 724.8980 |
| ACCURATE MASS (Da) | 724.3512 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. HKI0576 |
| InChIKey | CPQSJHUUXUXWOT-IPPPMHIGSA-N |
| InChI | InChI=1S/C46H48N2O6/c1-43-19-17-39(49)45(3,41(51)52)37(43)15-13-25-21-35-29(23-31(25)43)27-9-5-7-11-33(27)47(35)48-34-12-8-6-10-28(34)30-24-32-26(22-36(30)48)14-16-38-44(32,2)20-18-40(50)46(38,4)42(53)54/h5-12,21-24,37-40,49-50H,13-20H2,1-4H3,(H,51,52)(H,53,54)/t37-,38-,39+,40+,43-,44-,45+,46+/m1/s1 |
| SMILES | C[C@]12CC[C@@H]([C@@]([C@@H]1CCC3=C2C=C4C5=CC=CC=C5N(C4=C3)N6C7=CC=CC=C7C8=CC9=C(CC[C@@H]1[C@@]9(CC[C@@H]([C@@]1(C)C(=O)O)O)C)C=C86)(C)C(=O)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Xu, Zhongli; Baunach, Martin; Ding, Ling; Hertweck, Christian Bacterial synthesis of diverse indole terpene alkaloids by an unparalleled cyclization sequence Angewandte Chemie International Edition 2012 51 (41) 10293-10297. | ||
|---|---|---|---|
| DOI | 10.1002/anie.201204087 | PMID | 22968942 |
SYNTHESES
| CITATION 1 | Rosen BR; Werner EW; O'Brien AG; Baran PS Total synthesis of dixiamycin B by electrochemical oxidation. Journal of the American Chemical Society 2014 136 (15) 5571-5574. DOI: 10.1021/ja5013323 PMID: 24697810 | ||
|---|---|---|---|
