Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA012735
PROPERTIES
| NPAID | NPA012735 |
|---|---|
| CLUSTER ID | 2687 |
| NODE ID | 2092 |
| NAME | Brasilicardin A |
| FORMULA | C45H68N2O16 |
| MOLECULAR WEIGHT (Da) | 893.0370 |
| ACCURATE MASS (Da) | 892.4569 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Nocardia |
| ORIGIN SPECIES | brasiliensis IFM 0406 |
| InChIKey | SAZHWKBRJJLWKC-AWWLABOASA-N |
| InChI | InChI=1S/C45H68N2O16/c1-20-12-13-30-44(6,25(20)17-26(58-8)31(46)39(55)56)15-14-29-43(4,5)38(54)27(18-45(29,30)7)60-42-35(53)37(36(21(2)59-42)62-40(57)23-10-9-11-24(50)16-23)63-41-32(47-22(3)49)34(52)33(51)28(19-48)61-41/h9-12,16,21,25-38,41-42,48,50-54H,13-15,17-19,46H2,1-8H3,(H,47,49)(H,55,56)/t21-,25-,26-,27-,28+,29+,30-,31-,32+,33+,34+,35+,36-,37-,38+,41-,42-,44-,45+/m0/s1 |
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)O[C@H]2C[C@@]3([C@H](CC[C@@]4([C@@H]3CC=C([C@@H]4C[C@@H]([C@@H](C(=O)O)N)OC)C)C)C([C@@H]2O)(C)C)C)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)NC(=O)C)OC(=O)C6=CC(=CC=C6)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Shigemori, Hideyuki; Komaki, Hisayuki; Yazawa, Katsukiyo; Mikami, Yuzuru; Nemoto, Akira; Tanaka, Yasushi; Sasaki, Takuma; In, Yasuko; Ishida, Toshimasa; Kobayashi, Jun'ichi Brasilicardin A. A Novel Tricyclic Metabolite with Potent Immunosuppressive Activity from Actinomycete Nocardiabrasiliensis Journal of Organic Chemistry 1998 63 (20) 6900. | ||
|---|---|---|---|
| DOI | 10.1021/jo9807114 | PMID | 11672311 |
