Compounds
| ID | Spectrum Quality | Annotated Name |
|---|
COMPOUND NPA007954
PROPERTIES
| NPAID | NPA007954 |
|---|---|
| CLUSTER ID | 26 |
| NODE ID | 25 |
| NAME | 5-N-acetylardeemin |
| FORMULA | C28H28N4O3 |
| MOLECULAR WEIGHT (Da) | 468.5570 |
| ACCURATE MASS (Da) | 468.2161 |
| ORIGIN ORGANISM TYPE | Fungus |
| ORIGIN GENUS | Aspergillus |
| ORIGIN SPECIES | fumigatus SPS-02 |
| InChIKey | XTLQWSBGQKPGCF-YWDSKPHESA-N |
| InChI | InChI=1S/C28H28N4O3/c1-6-27(4,5)28-15-22-23-29-20-13-9-7-11-18(20)25(35)30(23)16(2)24(34)32(22)26(28)31(17(3)33)21-14-10-8-12-19(21)28/h6-14,16,22,26H,1,15H2,2-5H3/t16-,22+,26+,28-/m1/s1 |
| SMILES | C[C@@H]1C(=O)N2[C@@H](C[C@@]3([C@H]2N(C4=CC=CC=C43)C(=O)C)C(C)(C)C=C)C5=NC6=CC=CC=C6C(=O)N15 |
ORIGINAL ISOLATION REFERENCE
| CITATION | Zhang, Hua-Wei; Ying, Chen; Tang, Yi-Fei Four ardeemin analogs from endophytic Aspergillus fumigatus SPS-02 and their reversal effects on multidrug-resistant tumor cells Chemistry and Biodiversity 2014 11 (1) 85-91. | ||
|---|---|---|---|
| DOI | 10.1002/cbdv.201300220 | PMID | 24443428 |
SYNTHESES
| CITATION 1 | Takiguchi S; Iizuka T; Kumakura YS; Murasaki K; Ban N; Higuchi K; Kawasaki T Total syntheses of (-)-fructigenine A and (-)-5-N-acetylardeemin. Journal of Organic Chemistry 2010 75 (4) 1126-1131. DOI: 10.1021/jo9023107 PMID: 20073509 | ||
|---|---|---|---|
