Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA003458
PROPERTIES
| NPAID | NPA003458 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | Roquefortine I |
| FORMULA | C23H25N5O3 |
| MOLECULAR WEIGHT (Da) | 419.4850 |
| ACCURATE MASS (Da) | 419.1957 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Penicillium |
| ORIGIN SPECIES | sp. F23-2 |
| InChIKey | VBCVNTFADLECCP-UINVOOSUSA-N |
| InChI | InChI=1S/C23H25N5O3/c1-5-21(2,3)22-12-23(31-4)20(30)27-17(10-14-11-24-13-25-14)18(29)28(23)19(22)26-16-9-7-6-8-15(16)22/h5-11,13,19,26H,1,12H2,2-4H3,(H,24,25)(H,27,30)/b17-10+/t19-,22+,23?/m0/s1 |
| SMILES | CC(C)(C=C)[C@@]12CC3(C(=O)N/C(=C/C4=CN=CN4)/C(=O)N3[C@@H]1NC5=CC=CC=C25)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Du, Lin; Feng, Teng; Zhao, Boyu; Li, Dehai; Cai, Shengxin; Zhu, Tianjiao; Wang, Fengping; Xiao, Xiang; Gu, Qianqun Alkaloids from a deep ocean sediment-derived fungus Penicillium sp. and their antitumor activities Journal of Antibiotics 2010 63 (4) 165-170. | ||
|---|---|---|---|
| DOI | 10.1038/ja.2010.11 | PMID | 20186171 |
