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
Aquest®
Kestrone®
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 10.1621/LI9XVGKA6N
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
Search PubMed titles estrone
Search PubMed titles/abstracts estrone
Wikipedia Estrone
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.