General
Preferred name
PD164103
Synonyms
3-Epideoxycholic Acid ()
P&D ID
PD164103
CAS
63626-96-0
570-63-8
Tags
available
Structure
Probe scores
P&D probe-likeness score
[[ v.score ]]%
Structure formats
[[ format ]]
[[ compound[format === 'MOL' ? 'molblock' : format.toLowerCase()] ]]
Description
(extracted from source data)
DESCRIPTION 3-Epideoxycholic acid is the microbial metabolite of Deoxycholic acid (HY-N0593). 3-Epideoxycholic acid targets FXR of dendritic cells, reduces their immunostimulatory properties, promotes the generation of Treg cells, and exhibits anti-inflammatory activity. 3-Epideoxycholic acid promotes the growth of bacteria Bacteroides[1][2].
Compound Sets
2
Cayman Chemical Bioactives
34984
MedChem Express Bioactive Compound Library
HY-48814
External IDs
22
Properties
(calculated by RDKit )
Molecular Weight
392.29
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
3
Rotatable Bonds
4
Ring Count
4
Aromatic Ring Count
0
cLogP
4.48
TPSA
77.76
Fraction CSP3
0.96
Chiral centers
10.0
Largest ring
6.0
QED
0.66
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Endogenous Metabolite
FXR
Pathway
Metabolic Enzyme/Protease
Source data