Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000850669 | Gold | 1!CCMSLIB00000850671 |
| CCMSLIB00012132948 | Gold | 4 |
| CCMSLIB00009972745 | Gold | 4 |
COMPOUND NPA017536
PROPERTIES
| NPAID | NPA017536 |
|---|---|
| CLUSTER ID | 5879 |
| NODE ID | 4132 |
| NAME | Yaequinolone J2 |
| FORMULA | C27H31NO5 |
| MOLECULAR WEIGHT (Da) | 449.5470 |
| ACCURATE MASS (Da) | 449.2202 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. FKI-2140 |
| InChIKey | CPWPNTRWIIAFEG-STXQHDJLSA-N |
| InChI | InChI=1S/C27H31NO5/c1-17(2)7-6-15-26(3)16-14-18-8-13-21-22(23(18)33-26)27(30,24(32-5)25(29)28-21)19-9-11-20(31-4)12-10-19/h7-14,16,24,30H,6,15H2,1-5H3,(H,28,29)/t24-,26+,27+/m1/s1 |
| SMILES | COC1=CC=C([C@]2(O)C3=C(C=CC4=C3O[C@@](C)(CCC=C(C)C)C=C4)NC(=O)[C@H]2OC)C=C1 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Uchida, Ryuji; Imasato, Rie; Yamaguchi, Yuichi; Masuma, Rokuro; Shiomi, Kazuro; Tomoda, Hiroshi; Omura, Satoshi Yaequinolones, new insecticidal antibiotics produced by Penicillium sp. FKI-2140: I. Taxonomy, fermentation, isolation and biological activity Journal of Antibiotics 2006 59 (10) 646-651. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2006.86 | PMID | 17191680 |
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | CC(=CCC[C@@]1(C=CC2=C(O1)C3=C(C=C2)NC(=O)[C@@H]([C@]3(C4=CC=C(C=C4)OC)O)OC)C)C | Uchida, Ryuji; Imasato, Rie; Yamaguchi, Yuichi; Masuma, Rokuro; Shiomi, Kazuro; Tomoda, Hiroshi; Omura, Satoshi Yaequinolones, new insecticidal antibiotics produced by Penicillium sp. FKI-2140: I. Taxonomy, fermentation, isolation and biological activity Journal of Antibiotics 2006 59 (10) 646-651. DOI: 10.1038/ja.2006.86 PMID: 17191680 | ||
| 2 | COC1=CC=C([C@]2(O)C3=C(C=CC4=C3O[C@@](C)(CCC=C(C)C)C=C4)NC(=O)[C@H]2OC)C=C1 | Vece, Vito; Jakkepally, Shashidhar; Hanessian, Stephen Total Synthesis and Absolute Stereochemical Assignment of the Insecticidal Metabolites Yaequinolones J1 and J2. Organic Letters 2018 20 (14) 4277-4280. DOI: 10.1021/acs.orglett.8b01701 PMID: 29975546 | ||
