[3H]aldosterone   Click here for help

GtoPdb Ligand ID: 3452

Synonyms: [3H]-aldosterone
PDB Ligand  Ligand is labelled  Ligand is radioactive
Compound class: Synthetic organic
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2D Structure
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Physico-chemical Properties
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Hydrogen bond acceptors 5
Hydrogen bond donors 2
Rotatable bonds 3
Topological polar surface area 91.67
Molecular weight 360.19
XLogP 0.26
No. Lipinski's rules broken 0
SMILES / InChI / InChIKey
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Canonical SMILES OCC(=O)C1CCC2C1(C=O)CC(O)C1C2CCC2=CC(=O)CCC12C
Isomeric SMILES OCC(=O)[C@H]1CC[C@@H]2[C@]1(C=O)C[C@H](O)[C@H]1[C@H]2CCC2=CC(=O)CC[C@]12C
InChI InChI=1S/C21H28O5/c1-20-7-6-13(24)8-12(20)2-3-14-15-4-5-16(18(26)10-22)21(15,11-23)9-17(25)19(14)20/h8,11,14-17,19,22,25H,2-7,9-10H2,1H3/t14-,15-,16+,17-,19+,20-,21+/m0/s1
InChI Key PQSUYGKTWSAVDQ-ZVIOFETBSA-N
References
1. Ge RS, Dong Q, Sottas CM, Latif SA, Morris DJ, Hardy MP. (2005)
Stimulation of testosterone production in rat Leydig cells by aldosterone is mineralocorticoid receptor mediated.
Mol Cell Endocrinol, 243 (1-2): 35-42. [PMID:16188378]
2. Stephenson G, Krozowski Z, Funder JW. (1984)
Extravascular CBG-like sites in rat kidney and mineralocorticoid receptor specificity.
Am J Physiol, 246 (2 Pt 2): F227-33. [PMID:6320679]