General
Preferred name
ESTRADIOL ACETATE
Synonyms
1,3,5(10)-Estratriene-3,17¦Â-diol 17-acetate ()
1,3,5(10)-Estratriene-3,17??-diol 17-acetate ()
beta-estradiol 17-acetate ()
??Estradiol 17-acetate ()
1,3,5(10)-Estratriene-3,17??diol 17-acetate ()
β-Estradiol 17-acetate ()
1,3,5(10)-Estratriene-3,17β-diol 17-acetate ()
¦Â-Estradiol 17-acetate ()
(beta)-Estradiol 17-acetate ()
P&D ID
PD012108
CAS
1743-60-8
Tags
natural product
available
Probe control
Probe control not defined
Orthogonal probes
0
No orthogonal probes found
Similar probes
0
No structurally similar probes found
Structure
P&D probe-likeness score
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION
β-Estradiol 17-acetate is a metabolite of estradiol.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
BOC Sciences Bioactive Compounds
MedChem Express Bioactive Compound Library
Selleckchem Bioactive Compound Library
TargetMol Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
20
Molecular Weight
314.19
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
4
Aromatic Ring Count
1
cLogP
4.18
TPSA
46.53
Fraction CSP3
0.65
Chiral centers
5.0
Largest ring
6.0
QED
0.79
Structural alerts
2
aggregator (Aggregator Advisor)
Aggregators
aggregator (ZINC)
Aggregators
Related compounds
Custom attributes
(extracted from source data)
Pathway
Vitamin D Related/Nuclear Receptor
Target
Estrogen Receptor/ERR
Source data
