Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00012104107 | Gold | 4 |
| CCMSLIB00009943904 | Gold | 4 |
COMPOUND NPA019909
PROPERTIES
| NPAID | NPA019909 |
|---|---|
| CLUSTER ID | 6350 |
| NODE ID | 4398 |
| NAME | Celastramycin A |
| FORMULA | C17H18Cl3NO3 |
| MOLECULAR WEIGHT (Da) | 390.6940 |
| ACCURATE MASS (Da) | 389.0352 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | maB-QuH-8 |
| InChIKey | VPAMZQVPJOAFJG-UHFFFAOYSA-N |
| InChI | InChI=1S/C17H18Cl3NO3/c1-2-3-4-5-6-9-7-10(18)15(23)13(14(9)22)16(24)12-8-11(19)17(20)21-12/h7-8,21-23H,2-6H2,1H3 |
| SMILES | CCCCCCC1=CC(Cl)=C(O)C(C(=O)C2=CC(Cl)=C(Cl)N2)=C1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Pullen, Christian; Schmitz, Petra; Meurer, Kristina; Bamberg, Daniel v.; Lohmann, Stephanie; França, Suzelei De Castro; Groth, Ingrid; Schlegel, Brigitte; Möllmann, Ute; Gollmick, Friedrich; Gräfe, Udo; Leistner, Eckhard New and bioactive compounds from Streptomyces strains residing in the wood of Celastraceae Planta 2002 216 (1) 162-167. | ||
|---|---|---|---|
| DOI | 10.1007/s00425-002-0874-6 | PMID | 12430026 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCCCCCC1=CC(=C(C(=C1O)C(=O)C2=CNC(=C2Cl)Cl)O)Cl | Pullen, Christian; Schmitz, Petra; Meurer, Kristina; Bamberg, Daniel v.; Lohmann, Stephanie; França, Suzelei De Castro; Groth, Ingrid; Schlegel, Brigitte; Möllmann, Ute; Gollmick, Friedrich; Gräfe, Udo; Leistner, Eckhard New and bioactive compounds from Streptomyces strains residing in the wood of Celastraceae Planta 2002 216 (1) 162-167. DOI: 10.1007/s00425-002-0874-6 PMID: 12430026 | ||
| 2 | CCCCCCC1=CC(Cl)=C(O)C(C(=O)C2=CC(Cl)=C(Cl)N2)=C1O | Kikuchi, Haruhisa; Sekiya, Mizuki; Katou, Yasuhiro; Ueda, Kazunori; Kabeya, Takahiro; Kurata, Shoichiro; Oshima, Yoshiteru Revised structure and synthesis of celastramycin a, a potent innate immune suppressor. Organic Letters 2009 11 (8) 1693-5. DOI: 10.1021/ol9002306 PMID: 19317429 | ||
