General
Preferred name
16.alpha.-hydroxy Estrone
Synonyms
16α-Hydroxyestrone ()
16αOHE ()
16α-Hydroxy estrone ()
16¦ÁOHE ()
16α-hydroxyestrone ()
16¦Á-Hydroxyestrone ()
P&D ID
PD018763
CAS
566-76-7
Tags
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
16¦Á-Hydroxyestrone (16¦ÁOHE) is a major Estradiol metabolite. 16¦Á-Hydroxyestrone (16¦ÁOHE) can be used for the research of metabolic disease[1].
DESCRIPTION
16α-hydroxyestrone is an estrogenic metabolite that is a 16-hydroxylation product generated during the catalytic breakdown of estrone by cytochrome P450 enzymes in the liver (principally CYP3A4 and 3A5).
(GtoPdb)
DESCRIPTION
16α-Hydroxy estrone is a hydroxylated metabolite of E1 as well as an interconversion product with E2. E1 is 16α-hydroxylated by cytochrome P450 (CYP) isoforms, including CYP1A1, CYP3A5, CYP3A4, and CYP3A7, with CYP3A5 being breast-specific.
(BOC Sciences Bioactive Compounds)
[[ p.pathway_name ]]
[[ compound.targets[tid].gene_name ]]
Compound Sets
4
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
Guide to Pharmacology
MedChem Express Bioactive Compound Library
[[ a.name ]]
[[ ligand_id ]]
free of charge
External IDs
35
Molecular Weight
286.16
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
0
Ring Count
4
Aromatic Ring Count
1
cLogP
2.79
TPSA
57.53
Fraction CSP3
0.61
Chiral centers
5.0
Largest ring
6.0
QED
0.77
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data
