Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA015766
PROPERTIES
| NPAID | NPA015766 |
|---|---|
| CLUSTER ID | 95 |
| NODE ID | 90 |
| NAME | Candelalide C |
| FORMULA | C28H42O5 |
| MOLECULAR WEIGHT (Da) | 458.6390 |
| ACCURATE MASS (Da) | 458.3032 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Sesquicillium |
| ORIGIN SPECIES | candelabrum |
| InChIKey | JFVQSDWMRIDOHK-RFHSWFGCSA-N |
| InChI | InChI=1S/C28H42O5/c1-16-9-10-21-27(6,13-12-23-28(21,7)14-11-22(33-23)26(4,5)30)20(16)15-19-24(29)17(2)18(3)32-25(19)31-8/h20-23,30H,1,9-15H2,2-8H3/t20-,21-,22-,23-,27-,28+/m1/s1 |
| SMILES | CC1=C(OC(=C(C1=O)C[C@@H]2C(=C)CC[C@@H]3[C@@]2(CC[C@@H]4[C@]3(CC[C@@H](O4)C(C)(C)O)C)C)OC)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Singh, S B; Zink, D L; Dombrowski, A W; Dezeny, G; Bills, G F; Felix, J P; Slaughter, R S; Goetz, M A Candelalides A-C: novel diterpenoid pyrones from fermentations of Sesquicillium candelabrum as blockers of the voltage-gated potassium channel Kv1.3 Organic Letters 2001 3 (2) 247-250. | ||
|---|---|---|---|
| DOI | 10.1002/chin.200119162 | PMID | 11430046 |
