Compounds
| ID | Spectrum Quality | Annotated Name |
|---|---|---|
| CCMSLIB00000852712 | Gold | 1!CCMSLIB00000852714 |
COMPOUND NPA005896
PROPERTIES
| NPAID | NPA005896 |
|---|---|
| CLUSTER ID | 58 |
| NODE ID | 54 |
| NAME | EH21A2 |
| FORMULA | C28H42N2O7 |
| MOLECULAR WEIGHT (Da) | 518.6510 |
| ACCURATE MASS (Da) | 518.2992 |
| ORIGIN ORGANISM TYPE | Bacterium |
| ORIGIN GENUS | Streptomyces |
| ORIGIN SPECIES | sp. |
| InChIKey | HUXWGTSMSXMDBH-UQMARRQJSA-N |
| InChI | InChI=1S/C28H42N2O7/c1-16-10-20-13-21(15-22(31)14-20)30-27(33)17(2)8-7-9-23(35-5)26(37-28(29)34)19(4)12-18(3)25(32)24(11-16)36-6/h8,12-16,18,23-26,31-32H,7,9-11H2,1-6H3,(H2,29,34)(H,30,33)/b17-8+,19-12+/t16-,18+,23+,24+,25-,26+/m1/s1 |
| SMILES | C[C@H]1C[C@@H]([C@@H]([C@H](/C=C(/[C@@H]([C@H](CC/C=C(/C(=O)NC2=CC(=CC(=C2)C1)O)\C)OC)OC(=O)N)\C)C)O)OC |
ORIGINAL ISOLATION REFERENCE
| CITATION | Onodera, Hideyuki; Kaneko, Masami; Takahashi, Yuichi; Uochi, Yumiko; Funahashi, Jun; Nakashima, Takayuki; Soga, Shiro; Suzuki, Makoto; Ikeda, Shunichi; Yamashita, Yoshinori; Rahayu, Endang S; Kanda, Yutaka; Ichimura, Michio Conformational significance of EH21A1-A4, phenolic derivatives of geldanamycin, for Hsp90 inhibitory activity Bioorganic and Medicinal Chemistry Letters 2008 18 (5) 1588-1591. | ||
|---|---|---|---|
| DOI | 10.1016/j.bmcl.2008.01.072 | PMID | 18243703 |
