Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00004721991 | Bronze | Violacein;&3-(1,2-dihydro-5-(5-hydroxy-1H-indole-3-yl)-2-oxo-3H-pyrrol-3-ylidene)-1,3-dihydro-2H-indole-2-one |
| CCMSLIB00004721992 | Bronze | Violacein;&3-(1,2-dihydro-5-(5-hydroxy-1H-indole-3-yl)-2-oxo-3H-pyrrol-3-ylidene)-1,3-dihydro-2H-indole-2-one |
| CCMSLIB00012176227 | Gold | 3 |
COMPOUND NPA015879
PROPERTIES
| NPAID | NPA015879 |
|---|---|
| CLUSTER ID | 2423 |
| NODE ID | 11 |
| NAME | Violacein |
| FORMULA | C20H13N3O3 |
| MOLECULAR WEIGHT (Da) | 343.3420 |
| ACCURATE MASS (Da) | 343.0957 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Chromobacterium |
| ORIGIN SPECIES | violaceum |
| InChIKey | SHLJIZCPRXXHHZ-UHFFFAOYSA-N |
| InChI | InChI=1S/C20H13N3O3/c24-10-5-6-15-12(7-10)14(9-21-15)17-8-13(19(25)23-17)18-11-3-1-2-4-16(11)22-20(18)26/h1-9,21,23-25H |
| SMILES | C1=CC2=C(C(=O)N=C2C=C1)C3=C(NC(=C3)C4=CNC5=C4C=C(C=C5)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Ballantine, JA; Barrett, CB; Beer, RJS; Eardley, Stephen; Robertson, Alexander; Shaw, BL; Simpson, TH 147. The chemistry of bacteria. Part VII. The structure of violacein Journal of the Chemical Society 1958 755-760. | ||
|---|---|---|---|
| DOI | 10.1039/jr9580000755 | PMID | - |
SYNTHESES
| CITATION 1 | Petersen MT; Nielsen TE Tandem ring-closing metathesis/isomerization reactions for the total synthesis of violacein. Organic Letters 2013 15 (8) 1986-1989. DOI: 10.1021/ol400654r PMID: 23550830 | ||
|---|---|---|---|
