Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA019257
PROPERTIES
| NPAID | NPA019257 |
|---|---|
| CLUSTER ID | 6216 |
| NODE ID | 529 |
| NAME | Penostatin E |
| FORMULA | C22H32O3 |
| MOLECULAR WEIGHT (Da) | 344.4950 |
| ACCURATE MASS (Da) | 344.2351 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. |
| InChIKey | COBSXLQCUDCOES-YEODYQQJSA-N |
| InChI | InChI=1S/C22H32O3/c1-3-4-5-6-7-10-18(23)13-12-16(2)14-20-19-11-8-9-17(19)15-21(24)22(20)25/h8-9,12-15,18-20,22-23,25H,3-7,10-11H2,1-2H3/b13-12+,16-14-/t18-,19+,20-,22+/m0/s1 |
| SMILES | CCCCCCC[C@H](O)/C=C/C(C)=C\[C@H]1[C@@H]2CC=CC2=CC(=O)[C@@H]1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Iwamoto, Chika; Minoura, Katsuhiko; Oka, Toshihide; Ohta, Takatoshi; Hagishita, Sanji; Numata, Atsushi Absolute stereostructures of novel cytotoxic metabolites, penostatins A-E, from a Penicillium species separated from an Enteromorpha alga Tetrahedron 1999 55 (50) 14353-14368. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(99)00884-4 | PMID | - |
SYNTHESES
| CITATION 1 | Fujioka K; Yokoe H; Inoue A; Soga K; Tsubuki M; Shishido K Enantioselective synthesis of (+)-penostatin E. Journal of Organic Chemistry 2014 79 (16) 7512-9. DOI: 10.1021/jo501225y PMID: 25075759 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CCCCCCCC(/C=C/C(=C\C1C2CC=CC2=CC(=O)C1O)/C)O | Iwamoto, Chika; Minoura, Katsuhiko; Oka, Toshihide; Ohta, Takatoshi; Hagishita, Sanji; Numata, Atsushi Absolute stereostructures of novel cytotoxic metabolites, penostatins A-E, from a Penicillium species separated from an Enteromorpha alga Tetrahedron 1999 55 (50) 14353-14368. DOI: 10.1016/s0040-4020(99)00884-4 | ||
| 2 | CCCCCCC[C@H](O)/C=C/C(C)=C\[C@H]1[C@@H]2CC=CC2=CC(=O)[C@@H]1O | Fujioka K; Yokoe H; Inoue A; Soga K; Tsubuki M; Shishido K Enantioselective synthesis of (+)-penostatin E. Journal of Organic Chemistry 2014 79 (16) 7512-9. DOI: 10.1021/jo501225y PMID: 25075759 | ||
