| PDB CCD ID: | SDT |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C19 H24 O4 |
| InChI: | InChI=1S/C19H24O4/c1-11-3-7-16(21)18(23)12(11)4-5-13-14-6-8-17(22)19(14,2)10-9-15(13)20/h3,7,13-14,21,23H,4-6,8-10H2,1-2H3/t13-,14-,19-/m0/s1 |
| InChIKey: | YUHVBHDSVLKFNI-NJSLBKSFSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.341 | Cc1ccc(O)c(O)c1CC[C@H]2[C@@H]3CCC(=O)[C@@]3(C)CCC2=O | | CACTVS 3.341 | Cc1ccc(O)c(O)c1CC[CH]2[CH]3CCC(=O)[C]3(C)CCC2=O | | ACDLabs 10.04 | O=C3C(CCc1c(ccc(O)c1O)C)C2C(C(=O)CC2)(CC3)C | | OpenEye OEToolkits 1.5.0 | Cc1ccc(c(c1CC[C@H]2[C@@H]3CCC(=O)[C@]3(CCC2=O)C)O)O | | OpenEye OEToolkits 1.5.0 | Cc1ccc(c(c1CCC2C3CCC(=O)C3(CCC2=O)C)O)O |
|
| Name: | 3,4-dihydroxy-9,10-secoandrosta-1(10),2,4-triene-9,17-dione;
3,4-dhsa |
| DrugBank: | DB08542 |
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