Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA000803
PROPERTIES
| NPAID | NPA000803 |
|---|---|
| CLUSTER ID | 573 |
| NODE ID | 511 |
| NAME | Emericolin D |
| FORMULA | C25H36O2 |
| MOLECULAR WEIGHT (Da) | 368.5610 |
| ACCURATE MASS (Da) | 368.2715 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Emericella |
| ORIGIN SPECIES | aurantiobrunnea |
| InChIKey | XYGOQXIIYXSIFJ-MROKGFDXSA-N |
| InChI | InChI=1S/C25H36O2/c1-15(2)17-10-11-24(4)12-13-25(5)14-20-16(3)6-7-18(20)19(23(26)27)8-9-21(25)22(17)24/h6-8,16-18,20-22H,1,9-14H2,2-5H3,(H,26,27)/b19-8+/t16-,17+,18-,20-,21-,22-,24-,25+/m0/s1 |
| SMILES | C[C@H]1C=C[C@@H]/2[C@H]1C[C@]3(CC[C@@]4(CC[C@@H]([C@H]4[C@@H]3C/C=C2/C(=O)O)C(=C)C)C)C |
ORIGINAL ISOLATION REFERENCE
| CITATION | Yoganathan; Rossant, Christine; Glover, Robert P.; Cao, Shugeng; Vittal, Jagadese J.; Ng, Siewbee; Huang, Yicun; Buss, Antony D.; Butler, Mark S. Inhibition of the human chemokine receptor CCR5 by variecolin and variecolol and isolation of four new variecolin analogues, emericolins A-D, from Emericella aurantiobrunnea Journal of Natural Products 2004 67 (10) 1681-1684. | ||
|---|---|---|---|
| DOI | 10.1021/np049844c | PMID | 15497939 |
