estrone

Ligand Id: 2818
Ligand name estrone

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 1
Rotatable bonds 0
Topological polar surface area 37.3
Molecular weight 270.16
XLogP 4.04
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Metabolite or derivative
Approved drug? Yes
IUPAC Name
(8R,9S,13S,14S)-3-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one
International Nonproprietary Names
INN number INN
407 estrone
Synonyms
oestrone
Database Links
BindingDB Ligand 25829
CAS Registry No. 53-16-7
ChEBI CHEBI:17263
ChEMBL Ligand CHEMBL1405
DrugBank Ligand DB00655
Human Metabolome Database HMDB00145
Lipid Maps LMST02010004
NURSA Ligand 1055
PubChem CID 5870
RCSB PDB Ligand J3Z
Search Google for chemical match using the InChIKey DNXHEGUUPJUMQT-CBZIJGRNSA-N
Search Google for chemicals with the same backbone DNXHEGUUPJUMQT
Search PubMed clinical trials estrone
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Wikipedia Estrone
ZINC ZINC13509425
Comments
Estrone, is an important endogenous mammalian estrogen, produced in vivo from androstenedione in the ovaries, placenta, and in adipose tissue. Post-menopausally, this is the primary circulating estrogen.
Estrone does not appear to have general US FDA or European Medicines Agency marketing approval, although a few national agencies approve this drug.