General
Preferred name
Kynurenine, 3-hydroxy (R,S)
Synonyms
3-Hydroxykynurenine ()
3-hydroxy-DL-Kynurenine ()
P&D ID
PD046007
CAS
2147-61-7
606-14-4
484-78-6
Tags
natural product
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-Hydroxy-DL-kynurenine (CAS# 2147-61-7 ) is a useful research chemical. (BOC Sciences Bioactive Compounds)
Compound Sets
3
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
MedChem Express Bioactive Compound Library
External IDs
27
Properties
(calculated by RDKit )
Molecular Weight
224.08
Hydrogen Bond Acceptors
5
Hydrogen Bond Donors
4
Rotatable Bonds
4
Ring Count
1
Aromatic Ring Count
1
cLogP
-0.04
TPSA
126.64
Fraction CSP3
0.2
Chiral centers
1.0
Largest ring
6.0
QED
0.32
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Pathway
Apoptosis
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data