Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA004983
PROPERTIES
| NPAID | NPA004983 |
|---|---|
| CLUSTER ID | 246 |
| NODE ID | 226 |
| NAME | Peyronellin A |
| FORMULA | C28H36O7 |
| MOLECULAR WEIGHT (Da) | 484.5890 |
| ACCURATE MASS (Da) | 484.2461 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Peyronellaea |
| ORIGIN SPECIES | coffeae-arabicae FT238 |
| InChIKey | GMHDEOTYQHLKML-UKCWTKHPSA-N |
| InChI | InChI=1S/C28H36O7/c1-15-6-7-21-26(3,14-29)8-5-9-27(21,4)19(15)13-28-22(31)12-17(23(32)24(28)35-28)11-18-20(30)10-16(2)34-25(18)33/h6,10,12,19,21-22,24,29-31H,5,7-9,11,13-14H2,1-4H3/t19-,21-,22+,24+,26-,27+,28-/m0/s1 |
| SMILES | CC1=CC[C@H]2[C@](CCC[C@@]2([C@H]1C[C@]34[C@@H](C=C(C(=O)[C@H]3O4)CC5=C(C=C(OC5=O)C)O)O)C)(C)CO |
ORIGINAL ISOLATION REFERENCE
| CITATION | Li, Chun-Shun; Ren, Gang; Yang, Bao-Jun; Miklossy, Gabriella; Turkson, James; Fei, Peiwen; Ding, Yuanqing; Walker, Larry A.; Cao, Shugeng Meroterpenoids with Antiproliferative Activity from a Hawaiian-Plant Associated Fungus Peyronellaea coffeae-arabicae FT238 Organic Letters 2016 18 (10) 2335-2338. | ||
|---|---|---|---|
| DOI | 10.1021/acs.orglett.6b00685 | PMID | 27135759 |
