Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA009423
PROPERTIES
| NPAID | NPA009423 |
|---|---|
| CLUSTER ID | 3902 |
| NODE ID | 2916 |
| NAME | Clavilactone D |
| FORMULA | C16H15NO5 |
| MOLECULAR WEIGHT (Da) | 301.2980 |
| ACCURATE MASS (Da) | 301.0950 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Clitocybe |
| ORIGIN SPECIES | clavipes |
| InChIKey | JPXJOSVTNUCCKM-YCWOYDOZSA-N |
| InChI | InChI=1S/C16H15NO5/c1-7-3-2-4-16-14(22-16)13(21-15(16)20)11-8(5-7)10(18)6-9(17)12(11)19/h3,6,13-14H,2,4-5,17H2,1H3/b7-3-/t13-,14-,16-/m1/s1 |
| SMILES | C/C1=C/CC[C@@]23O[C@@H]2[C@H](OC3=O)C2=C(C1)C(=O)C=C(N)C2=O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Merlini, Lucio; Nasini, Gianluca; Scaglioni, Leonardo; Cassinelli, Giuliana; Lanzi, Cinzia Structure elucidation of clavilactone D: An inhibitor of protein tyrosine kinases Phytochemistry 2000 53 (8) 1039-1041. | ||
|---|---|---|---|
| DOI | 10.1016/s0031-9422(99)00506-3 | PMID | - |
SYNTHESES
| CITATION 1 | Lv L; Snider BB; Li Z Total Synthesis and Structure Revision of (±)-Clavilactone D Through Selective Cyclization of an α,β-Dicarbonyl Peroxide. Journal of Organic Chemistry 2017 82 (10) 5487-5491. DOI: 10.1021/acs.joc.7b00693 PMID: 28475334 | ||
|---|---|---|---|
REVISIONS
| VERSION | SMILES | CITATION | ||
|---|---|---|---|---|
| Original Isolation | C/C/1=C/CC[C@@]23[C@@H](O2)[C@H](C4=C(C1)C(=O)C(=O)C=C4O)OC3=O | Merlini, Lucio; Nasini, Gianluca; Scaglioni, Leonardo; Cassinelli, Giuliana; Lanzi, Cinzia Structure elucidation of clavilactone D: An inhibitor of protein tyrosine kinases Phytochemistry 2000 53 (8) 1039-1041. DOI: 10.1016/s0031-9422(99)00506-3 | ||
| 2 | C/C1=C/CC[C@@]23O[C@@H]2[C@H](OC3=O)C2=C(C1)C(=O)C=C(N)C2=O | Lv L; Snider BB; Li Z Total Synthesis and Structure Revision of (±)-Clavilactone D Through Selective Cyclization of an α,β-Dicarbonyl Peroxide. Journal of Organic Chemistry 2017 82 (10) 5487-5491. DOI: 10.1021/acs.joc.7b00693 PMID: 28475334 | ||
