Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA016338
PROPERTIES
| NPAID | NPA016338 |
|---|---|
| CLUSTER ID | 16 |
| NODE ID | 16 |
| NAME | Herbarumin I |
| FORMULA | C12H20O4 |
| MOLECULAR WEIGHT (Da) | 228.2880 |
| ACCURATE MASS (Da) | 228.1362 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Phoma |
| ORIGIN SPECIES | herbarum |
| InChIKey | IZFXFVSOQMEZKB-RVUUCJLMSA-N |
| InChI | InChI=1S/C12H20O4/c1-2-6-10-12(15)9(13)7-4-3-5-8-11(14)16-10/h4,7,9-10,12-13,15H,2-3,5-6,8H2,1H3/b7-4-/t9-,10+,12-/m0/s1 |
| SMILES | CCC[C@@H]1[C@H]([C@H](/C=C\CCCC(=O)O1)O)O |
ORIGINAL ISOLATION REFERENCE
| CITATION | Rivero-Cruz, José Fausto; Garcı́a-Aguirre, Genoveva; Cerda-Garcı́a-Rojas, Carlos M.; Mata, Rachel Conformational Behavior and Absolute Stereostructure of Two Phytotoxic Nonenolides from the Fungus Phoma herbarum Tetrahedron 2000 56 (30) 5337-5344. | ||
|---|---|---|---|
| DOI | 10.1016/s0040-4020(00)00469-5 | PMID | - |
SYNTHESES
| CITATION 1 | Jangili P; Kashanna J; Kumar CG; Poornachandra Y; Das B Stereoselective total synthesis of a novel regiomer of herbarumin I and its cytotoxic and antimicrobial activities. Bioorganic and Medicinal Chemistry Letters 2014 24 (1) 325-7. DOI: 10.1016/j.bmcl.2013.11.010 PMID: 24300737 | ||
|---|---|---|---|
