Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA008337
PROPERTIES
| NPAID | NPA008337 |
|---|---|
| CLUSTER ID | 3578 |
| NODE ID | 2694 |
| NAME | Herquline B |
| FORMULA | C19H26N2O2 |
| MOLECULAR WEIGHT (Da) | 314.4290 |
| ACCURATE MASS (Da) | 314.1994 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | herquei Fg-372 |
| InChIKey | IKEHAWAEPHQJSM-UHFFFAOYSA-N |
| InChI | InChI=1S/C19H26N2O2/c1-21-11-14-6-12-2-4-18(22)16(8-12)17-9-13(3-5-19(17)23)7-15(21)10-20-14/h8-9,14-17,20H,2-7,10-11H2,1H3 |
| SMILES | CN1CC2CC3=CC(C4C=C(CCC4=O)CC1CN2)C(=O)CC3 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Enomoto, Yumi; Shiomi, Kazuro; Hayashi, Masahiko; Masuma, Rokuro; Kawakubo, Tomoya; Tomosawa, Keiichi; Iwai, Yuzuru; Omura, Satoshi Herquline B, a new platelet aggregation inhibitor produced by Penicillium herquei Fg-372 Journal of Antibiotics 1996 49 (1) 50-53. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.49.50 | PMID | 8609085 |
SYNTHESES
| CITATION 1 | Cox JB; Kimishima A; Wood JL Total Synthesis of Herquline B and C. Journal of the American Chemical Society 2019 141 (1) 25-28. DOI: 10.1021/jacs.8b10212 PMID: 30561198 | ||
|---|---|---|---|
