Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000577518 | Gold | 3 |
COMPOUND NPA029288
PROPERTIES
| NPAID | NPA029288 |
|---|---|
| CLUSTER ID | 6377 |
| NODE ID | 141 |
| NAME | Leucinostatin NPDG B |
| FORMULA | C62H111N11O12 |
| MOLECULAR WEIGHT (Da) | 1202.6350 |
| ACCURATE MASS (Da) | 1201.8414 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Ophiocordyceps |
| ORIGIN SPECIES | sp. and Purpureocillium sp. |
| InChIKey | IWHRDZSFTXTOFB-JCVNKPDFSA-N |
| InChI | InChI=1S/C62H111N11O12/c1-21-39(9)26-27-49(76)73-34-41(11)33-47(73)55(81)66-46(32-40(10)24-23-25-43(74)22-2)53(79)68-50(51(77)38(7)8)56(82)70-61(15,16)58(84)67-44(30-36(3)4)52(78)65-45(31-37(5)6)54(80)69-62(17,18)59(85)71-60(13,14)57(83)63-29-28-48(75)64-42(12)35-72(19)20/h26-27,36-42,44-47,50-51,77H,21-25,28-35H2,1-20H3,(H,63,83)(H,64,75)(H,65,78)(H,66,81)(H,67,84)(H,68,79)(H,69,80)(H,70,82)(H,71,85)/b27-26+/t39-,40+,41-,42-,44-,45-,46-,47-,50-,51+/m0/s1 |
| SMILES | CCC(=O)CCC[C@@H](C)C[C@H](NC(=O)[C@@H]1C[C@H](C)CN1C(=O)/C=C/[C@@H](C)CC)C(=O)N[C@H](C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N[C@@H](C)CN(C)C)[C@H](O)C(C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Cichewicz, Robert H.; Kil, Yun-Seo; Mooberry, Susan L.; Petersen, Cora L.; Risinger, April L. Leucinostatins from Ophiocordyceps spp. And Purpureocillium spp. Demonstrate Selective Antiproliferative Effects in Cells Representing the Luminal Androgen Receptor Subtype of Triple Negative Breast Cancer Journal of Natural Products 2020 83 (6) 2010-2024. | ||
|---|---|---|---|
| DOI | 10.1021/acs.jnatprod.0c00404 | PMID | 32510949 |
