Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA006993
PROPERTIES
| NPAID | NPA006993 |
|---|---|
| CLUSTER ID | 3182 |
| NODE ID | 2424 |
| NAME | Violaceoid B |
| FORMULA | C14H22O4 |
| MOLECULAR WEIGHT (Da) | 254.3260 |
| ACCURATE MASS (Da) | 254.1518 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | violaceofuscus |
| InChIKey | UAIOXSJSOUCTHE-GFCCVEGCSA-N |
| InChI | InChI=1S/C14H22O4/c1-2-3-4-5-6-12(17)14-10(9-15)11(16)7-8-13(14)18/h7-8,12,15-18H,2-6,9H2,1H3/t12-/m1/s1 |
| SMILES | CCCCCC[C@@H](O)C1=C(O)C=CC(O)=C1CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Myobatake, Yusuke; Takemoto, Kenji; Kamisuki, Shinji; Inoue, Natsuki; Takasaki, Ayato; Takeuchi, Toshifumi; Mizushina, Yoshiyuki; Sugawara, Fumio Cytotoxic alkylated hydroquinone, phenol, and cyclohexenone derivatives from aspergillus violaceofuscus Gasperini Journal of Natural Products 2014 77 (5) 1236-1240. | ||
|---|---|---|---|
| DOI | 10.1021/np401017g | PMID | 24786915 |
SYNTHESES
| CITATION 1 | Murata T; Kuboki T; Ishikawa R; Saito T; Taguchi S; Takeuchi K; Hatano E; Shimonaka M; Shiina I Total Synthesis of Violaceoid A and (-)- and (+)-Violaceoid B. Journal of Natural Products 2018 81 (11) 2364-2370. DOI: 10.1021/acs.jnatprod.8b00215 PMID: 30375869 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCCCCCC(C1=C(C=CC(=C1CO)O)O)O | Myobatake, Yusuke; Takemoto, Kenji; Kamisuki, Shinji; Inoue, Natsuki; Takasaki, Ayato; Takeuchi, Toshifumi; Mizushina, Yoshiyuki; Sugawara, Fumio Cytotoxic alkylated hydroquinone, phenol, and cyclohexenone derivatives from aspergillus violaceofuscus Gasperini Journal of Natural Products 2014 77 (5) 1236-1240. DOI: 10.1021/np401017g PMID: 24786915 | ||
| 2 | CCCCCC[C@@H](O)C1=C(O)C=CC(O)=C1CO | Murata T; Kuboki T; Ishikawa R; Saito T; Taguchi S; Takeuchi K; Hatano E; Shimonaka M; Shiina I Total Synthesis of Violaceoid A and (-)- and (+)-Violaceoid B. Journal of Natural Products 2018 81 (11) 2364-2370. DOI: 10.1021/acs.jnatprod.8b00215 PMID: 30375869 | ||
