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| Ligand ID | UQC |
| InChI | InChI=1S/C21H28O5/c1-19-7-5-13(23)9-12(19)3-4-14-15-6-8-21(26,17(25)11-22)20(15,2)10-16(24)18(14)19/h9,14-15,18,22,26H,3-8,10-11H2,1-2H3/t14-,15-,18+,19-,20-,21-/m0/s1 |
| InChIKey | MFYSYFVPBJMHGN-ZPOLXVRWSA-N |
| SMILES | | Software | SMILES |
|---|
| CACTVS 3.385 | C[C@]12CCC(=O)C=C1CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)CC(=O)[C@H]23 | | CACTVS 3.385 | C[C]12CCC(=O)C=C1CC[CH]3[CH]4CC[C](O)(C(=O)CO)[C]4(C)CC(=O)[CH]23 | | OpenEye OEToolkits 2.0.7 | CC12CCC(=O)C=C1CCC3C2C(=O)CC4(C3CCC4(C(=O)CO)O)C | | OpenEye OEToolkits 2.0.7 | C[C@]12CCC(=O)C=C1CC[C@@H]3[C@@H]2C(=O)C[C@]4([C@H]3CC[C@@]4(C(=O)CO)O)C |
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| Formula | C21 H28 O5 |
| Name | Cortisone;
(8S,9S,10R,13S,14S,17R)-10,13-dimethyl-17-oxidanyl-17-(2-oxidanylethanoyl)-1,2,6,7,8,9,12,14,15,16-decahydrocyclopenta[a]phenanthrene-3,11-dione;
17alpha,21-Dihydroxypregn-4-ene-3,11,20-trione |
| ChEMBL | CHEMBL1499 |
| DrugBank | DB14681 |
| ZINC | ZINC000004083557
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| PDB chain | 8cc0 Chain H Residue 301
[Download ligand structure]
[Download structure with residue number starting from 1]
[View ligand structure]
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