Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028014
PROPERTIES
| NPAID | NPA028014 |
|---|---|
| CLUSTER ID | 17 |
| NODE ID | 17 |
| NAME | Janthitrem D |
| FORMULA | C37H47NO5 |
| MOLECULAR WEIGHT (Da) | 585.7850 |
| ACCURATE MASS (Da) | 585.3454 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | janthinellum |
| InChIKey | UXZOBGCWFHHVSB-SAIJFAOISA-N |
| InChI | InChI=1S/C37H47NO5/c1-18(2)29-28(39)31-37(42-31)27(41-29)10-11-34(7)35(8)20(9-12-36(34,37)40)15-23-22-13-19-14-25-24(17-32(3,4)43-33(25,5)6)21(19)16-26(22)38-30(23)35/h13,16-17,20,25,27-29,31,38-40H,1,9-12,14-15H2,2-8H3/t20-,25-,27-,28-,29+,31+,34+,35+,36-,37-/m0/s1 |
| SMILES | C=C(C)[C@H]1O[C@H]2CC[C@]3(C)[C@@]4(C)C5=C(C[C@@H]4CC[C@@]3(O)[C@]23O[C@@H]3[C@H]1O)C1=C(C=C2C3=CC(C)(C)OC(C)(C)[C@H]3CC2=C1)[NH]5 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Babu, Jacob V.; Popay, Alison J.; Miles, Christopher O.; Wilkins, Alistair L.; Di Menna, Margaret E.; Finch, Sarah C. Identification and Structure Elucidation of Janthitrems A and D from Penicillium janthinellum and Determination of the Tremorgenic and Anti-Insect Activity of Janthitrems A and B Journal of Agricultural and Food Chemistry 2018 66 (50) 13116-13125. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jafc.8b04964 | PMID | 30482018 |
