General
Preferred name
Butenoic Acid
Synonyms
CROTONIC ACID ()
NSC 8751 ()
(E)-2-Butenoic acid ()
(E)-Crotonic acid ()
trans-2-Butenoic acid ()
trans-Crotonic acid ()
Crotonate ()
P&D ID
PD008576
CAS
107-93-7
15105-17-6
39382-27-9
3724-65-0
Tags
drug candidate
natural product
available
Drug Status
experimental
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 Nrf2 activator; cell permeable (Tocris Bioactive Compound Library)
Cell lines
0
Organisms
1
Compound Sets
3
DrugBank
DB02074
MedChem Express Bioactive Compound Library
HY-Y1644
Tocris Bioactive Compound Library
6660
External IDs
48
Properties
(calculated by RDKit )
Molecular Weight
86.04
Hydrogen Bond Acceptors
1
Hydrogen Bond Donors
1
Rotatable Bonds
1
Ring Count
0
Aromatic Ring Count
0
cLogP
0.65
TPSA
37.3
Fraction CSP3
0.25
Chiral centers
0.0
Largest ring
0.0
QED
0.48
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Primary Target
Stem Cell Reprogramming
Pathway
Metabolic Enzyme/Protease
Target
Endogenous Metabolite
Source data