Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016300
PROPERTIES
| NPAID | NPA016300 |
|---|---|
| CLUSTER ID | 5583 |
| NODE ID | 3953 |
| NAME | Pentenocin B |
| FORMULA | C7H10O4 |
| MOLECULAR WEIGHT (Da) | 158.1530 |
| ACCURATE MASS (Da) | 158.0579 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Trichoderma |
| ORIGIN SPECIES | hamatum FO-6903 |
| InChIKey | NEVXRVUNMDEPDG-PIYBLCFFSA-N |
| InChI | InChI=1S/C7H10O4/c1-4(8)7(11)3-2-5(9)6(7)10/h2-4,6,8,10-11H,1H3/t4-,6+,7+/m1/s1 |
| SMILES | C[C@@H](O)[C@@]1(O)C=CC(=O)[C@@H]1O |
ORIGINAL ISOLATION REFERENCE
| CITATION | MATSUMOTO, TSUKASA; ISHIYAMA, AKI; YAMAGUCHI, YUUICHI; MASUMA, ROKURO; UI, HIDEAKI; SHIOMI, KAZURO; YAMADA, HARUKI; OMURA, SATOSHI Novel Cyclopentanone Derivatives Pentenocins A and B, with Interleukin-1 .BETA. Converting Enzyme Inhibitory Activity, Produced by Trichoderma hamatum FO-6903 Journal of Antibiotics 1999 52 (8) 754-757. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.52.754 | PMID | 10580389 |
SYNTHESES
| CITATION 1 | Sugahara T; Fukuda H; Iwabuchi Y Total synthesis and absolute stereochemistry of pentenocin B, a novel interleukin-1 beta converting enzyme inhibitor. Journal of Organic Chemistry 2004 69 (5) 1744-7. DOI: 10.1021/jo035430x PMID: 14987040 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC(C1(C=CC(=O)C1O)O)O | MATSUMOTO, TSUKASA; ISHIYAMA, AKI; YAMAGUCHI, YUUICHI; MASUMA, ROKURO; UI, HIDEAKI; SHIOMI, KAZURO; YAMADA, HARUKI; OMURA, SATOSHI Novel Cyclopentanone Derivatives Pentenocins A and B, with Interleukin-1 .BETA. Converting Enzyme Inhibitory Activity, Produced by Trichoderma hamatum FO-6903 Journal of Antibiotics 1999 52 (8) 754-757. DOI: 10.7164/antibiotics.52.754 PMID: 10580389 | ||
| 2 | C[C@@H](O)[C@@]1(O)C=CC(=O)[C@@H]1O | Sugahara T; Fukuda H; Iwabuchi Y Total synthesis and absolute stereochemistry of pentenocin B, a novel interleukin-1 beta converting enzyme inhibitor. Journal of Organic Chemistry 2004 69 (5) 1744-7. DOI: 10.1021/jo035430x PMID: 14987040 | ||
