aldosterone

Ligand id: 2872

Name: aldosterone

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Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
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

Molecular properties generated using the CDK

Classification
Compound class Metabolite or derivative
IUPAC Name
(8S,9S,10R,11S,13R,14S,17S)-11-hydroxy-17-(2-hydroxyacetyl)-10-methyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthrene-13-carbaldehyde
International Nonproprietary Names
INN number INN
483 aldosterone
Database Links
CAS Registry No. 52-39-1 (source: Scifinder)
ChEBI CHEBI:27584
ChEMBL Ligand CHEMBL273453
GtoPdb PubChem SID 135651432
NURSA Ligand 10.1621/2ZTYUZWU7P
PubChem CID 5839
RCSB PDB Ligand AS4
Search Google for chemical match using the InChIKey PQSUYGKTWSAVDQ-ZVIOFETBSA-N
Search Google for chemicals with the same backbone PQSUYGKTWSAVDQ
Search PubMed clinical trials aldosterone
Search PubMed titles aldosterone
Search PubMed titles/abstracts aldosterone
Search UniChem for chemical match using the InChIKey PQSUYGKTWSAVDQ-ZVIOFETBSA-N
Search UniChem for chemicals with the same backbone PQSUYGKTWSAVDQ
SynPHARM 6580 (in complex with Mineralocorticoid receptor)
Wikipedia Aldosterone