[3H]17β-estradiol

Ligand Id: 1012
Ligand name [3H]17β-estradiol

2D Structure
Calculated Physico-chemical Properties
Hydrogen bond acceptors 1
Hydrogen bond donors 2
Rotatable bonds 0
Topological polar surface area 40.46
Molecular weight 272.18
XLogP 4.65
No. Lipinski's rules broken 0

Molecular properties generated using the CDK


Classification
Compound class Metabolite or derivative
IUPAC Name
(8R,9S,13S,14S,17S)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol
Synonyms
17β-[2,4,6,7-3H]estradiol
17β-[3H]estradiol
[3H]-estradiol
[3H]-estrogen
[3H]E2
[3H]estradiol
Database Links
BindingDB Ligand 25868
CAS Registry No. 50-28-2 (source: DrugBank)
ChEBI CHEBI:152508
ChEMBL Ligand 219886, 174931, 175454, 175556, 179852, 300102, 262455, 127626
DrugBank Ligand DB00783
NURSA Ligand 1073, li36
PharmGKB Drug PA449503
PubChem CID 5757
RCSB PDB Ligand EST
Search Google for chemical match using the InChIKey VOXZDWNPVJITMN-ZBRFXRBCSA-N
Search Google for chemicals with the same backbone VOXZDWNPVJITMN
Wikipedia Estradiol
ZINC ZINC13520815