Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA010459
PROPERTIES
| NPAID | NPA010459 |
|---|---|
| CLUSTER ID | 95 |
| NODE ID | 90 |
| NAME | Candelalide B |
| FORMULA | C28H42O6 |
| MOLECULAR WEIGHT (Da) | 474.6380 |
| ACCURATE MASS (Da) | 474.2981 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Sesquicillium |
| ORIGIN SPECIES | candelabrum |
| InChIKey | GYPSSOCDVXLZDC-CPQDPSFFSA-N |
| InChI | InChI=1S/C28H42O6/c1-15-9-10-21-27(6,19(15)13-18-23(30)16(2)17(3)33-25(18)32-8)12-11-22-28(21,7)14-20(29)24(34-22)26(4,5)31/h19-22,24,29,31H,1,9-14H2,2-8H3/t19-,20+,21-,22-,24-,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(C[C@@H]([C@@H](O4)C(C)(C)O)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 |
