Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA014472
PROPERTIES
| NPAID | NPA014472 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | 15b-β-hydroxy-5-N-acetylardeemin |
| FORMULA | C28H28N4O4 |
| MOLECULAR WEIGHT (Da) | 484.5560 |
| ACCURATE MASS (Da) | 484.2111 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | sp. (CMB-M081F) |
| InChIKey | UTVHCNQHDCRVMF-HRNBAXJPSA-N |
| InChI | InChI=1S/C28H28N4O4/c1-6-26(4,5)27-15-28(36)24-29-20-13-9-7-11-18(20)23(35)30(24)16(2)22(34)32(28)25(27)31(17(3)33)21-14-10-8-12-19(21)27/h6-14,16,25,36H,1,15H2,2-5H3/t16-,25+,27-,28-/m0/s1 |
| SMILES | C[C@H]1C(=O)N2[C@@H]3[C@](C[C@@]2(C4=NC5=CC=CC=C5C(=O)N14)O)(C6=CC=CC=C6N3C(=O)C)C(C)(C)C=C |
ORIGINAL ISOLATION REFERENCE
| CITATION | HOCHLOWSKI, JILL E.; MULLALLY, MARK M.; SPANTON, STEPHEN G.; WHITTERN, DAVID N.; HILL, PRESTON; MCALPINE, JAMES B. 5-N-Acetylardeemin, a novel heterocyclic compound which reverses multiple drug resistance in tumor cells. II. Isolation and elucidation of the structure of 5-N-acetylardeemin and two congeners Journal of Antibiotics 1993 46 (3) 380-386. | ||
|---|---|---|---|
| DOI | 10.7164/antibiotics.46.380 | PMID | 8478256 |
