Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA028013
PROPERTIES
| NPAID | NPA028013 |
|---|---|
| CLUSTER ID | 17 |
| NODE ID | 17 |
| NAME | Janthitrem A |
| FORMULA | C37H47NO6 |
| MOLECULAR WEIGHT (Da) | 601.7840 |
| ACCURATE MASS (Da) | 601.3403 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | janthinellum |
| InChIKey | ZHNJCSDFBNOBNM-MUVGSFBYSA-N |
| InChI | InChI=1S/C37H47NO6/c1-17(2)29-28(40)31-37(43-31)25(42-29)10-11-34(7)35(8)18(9-12-36(34,37)41)13-22-20-14-21-19(15-24(20)38-30(22)35)23-16-32(3,4)44-33(5,6)26(23)27(21)39/h14-16,18,25-29,31,38-41H,1,9-13H2,2-8H3/t18-,25-,26+,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=CC2=C(C=C1[NH]5)C1=CC(C)(C)OC(C)(C)[C@H]1[C@@H]2O |
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 |
