estriol

Ligand id: 2821

Name: estriol

Structure and Physico-chemical Properties

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 2
Hydrogen bond donors 3
Rotatable bonds 0
Topological polar surface area 60.69
Molecular weight 288.17
XLogP 4.05
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,16R,17R)-13-methyl-6,7,8,9,11,12,14,15,16, 17-decahydrocyclopenta[a]phenanthrene-3,16,17-triol
Synonyms
Trimesta®
Database Links
CAS Registry No. 50-27-1 (source: Scifinder)
ChEBI CHEBI:27974
ChEMBL Ligand CHEMBL193482
DrugBank Ligand DB04573
Human Metabolome Database HMDB00153
NURSA Ligand 10.1621/BGQLEYI2XD
PubChem CID 5756
RCSB PDB Ligand ESL
Search Google for chemical match using the InChIKey PROQIPRRNZUXQM-ZXXIGWHRSA-N
Search Google for chemicals with the same backbone PROQIPRRNZUXQM
Wikipedia Estriol
Comments
Estriol (E3) is one of the three main endogenous human estrogens. E3 is only produced in significant amounts during pregnancy, being synthesised in the placenta from 16-hydroxydehydroepiandrosterone sulfate (16-OH DHEAS), an androgen of fetal origin.