PDB CCD ID: | ECS |
Number of entries in BioLiP: | 2 |
Chemical formula: | C18 H24 O3 |
InChI: | InChI=1S/C18H24O3/c1-18-7-6-11-12(14(18)4-5-17(18)21)3-2-10-8-15(19)16(20)9-13(10)11/h8-9,11-12,14,17,19-21H,2-7H2,1H3/t11-,12+,14-,17-,18-/m0/s1 |
InChIKey: | DILDHNKDVHLEQB-XSSYPUMDSA-N |
SMILES: | Software | SMILES |
---|
OpenEye OEToolkits 1.5.0 | C[C@]12CC[C@@H]3c4cc(c(cc4CC[C@H]3[C@@H]1CC[C@@H]2O)O)O | CACTVS 3.341 | C[C@]12CC[C@H]3[C@@H](CCc4cc(O)c(O)cc34)[C@@H]1CC[C@@H]2O | ACDLabs 10.04 | Oc1cc4c(cc1O)C3CCC2(C(CCC2O)C3CC4)C | OpenEye OEToolkits 1.5.0 | CC12CCC3c4cc(c(cc4CCC3C1CCC2O)O)O | CACTVS 3.341 | C[C]12CC[CH]3[CH](CCc4cc(O)c(O)cc34)[CH]1CC[CH]2O |
|
Name: | 2,3,17BETA-TRIHYDROXY-1,3,5(10)-ESTRATRIENE |
ChEMBL: | CHEMBL467987 |
DrugBank: | DB07706 |
ZINC: | ZINC000003815419 |