Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA020555
PROPERTIES
| NPAID | NPA020555 |
|---|---|
| CLUSTER ID | 3255 |
| NODE ID | 11 |
| NAME | 0231B |
| FORMULA | C21H17NO3 |
| MOLECULAR WEIGHT (Da) | 331.3710 |
| ACCURATE MASS (Da) | 331.1208 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. HKI 0231 |
| InChIKey | RIHDHRTVCCUKQG-NRFANRHFSA-N |
| InChI | InChI=1S/C21H17NO3/c1-11-9-12-7-8-15(23)19-17(12)14(10-11)22-20(19)13-5-4-6-16(24-2)18(13)21(22)25-3/h4-10,21H,1-3H3/t21-/m0/s1 |
| SMILES | CC1=CC2=C3C(=C1)C=CC(=O)C3=C4N2[C@H](C5=C4C=CC=C5OC)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Kleinwächter P; Schlegel B; Groth I; Härtl A; Gräfe U New Inhibitors of 3α-Hydroxysteroid Dehydrogenase, 0231A and 0231B from Streptomyces sp. HKI 0231 Journal of Antibiotics 2001 54 (6) 510-512. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.54.510 | PMID | 11513041 |
SYNTHESES
| CITATION 1 | Komoda T; Shinoda Y; Nakatsuka S Total synthesis of 0231B, an inhibitor of 3alpha-hydroxysteroid dehydrogenase produced by Streptomyces sp. HKI0231. Bioscience Biotechnology and Biochemistry 2003 67 (3) 659-62. DOI: 10.1271/bbb.67.659 PMID: 12723622 | ||
|---|---|---|---|
| CITATION 2 | Scopton A; Kelly TR Synthesis of HKI 0231B. Journal of Organic Chemistry 2005 70 (24) 10004-12. DOI: 10.1021/jo051762l PMID: 16292834 | ||
