Compounds
COMPOUND NPA028977
PROPERTIES
| NPAID | NPA028977 |
|---|---|
| CLUSTER ID | 17 |
| NODE ID | 17 |
| NAME | Paxilline |
| FORMULA | C27H33NO4 |
| MOLECULAR WEIGHT (Da) | 435.5640 |
| ACCURATE MASS (Da) | 435.2410 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | paxilli Bainier |
| InChIKey | ACNHBCIZLNNLRS-UBGQALKQSA-N |
| InChI | InChI=1S/C27H33NO4/c1-24(2,30)23-20(29)14-18-21(32-23)10-11-25(3)26(4)15(9-12-27(18,25)31)13-17-16-7-5-6-8-19(16)28-22(17)26/h5-8,14-15,21,23,28,30-31H,9-13H2,1-4H3/t15-,21-,23-,25+,26+,27+/m0/s1 |
| SMILES | CC(C)(O)[C@H]1O[C@H]2CC[C@@]3(C)[C@@](O)(CC[C@H]4CC5=C([NH]C6=CC=CC=C56)[C@@]43C)C2=CC1=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | James P. Springer, Jon Clardy, John M. Wells, Richard J. Cole, Jerry W. Kirksey The structure of paxilline, a tremorgenic metabolite of Penicillium paxilli Bainier Tetrahedron Letters 1975 16 (30) 2531-2534. | ||
|---|---|---|---|
| DOI | 10.1016/S0040-4039(00)75170-7 | PMID | - |
