General
Preferred name
ISOBAVACHIN
Synonyms
P&D ID
PD087883
CAS
31524-62-6
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 Isobavachin, an antioxidant isaolated from Psoralea corylifolia with a prenyl group at position 8 of ring A, promotes neuronal differentiation and the potential role of its protein prenylation[1][2].
PRICE 74
DESCRIPTION Isobavachin can facilitate mouse ES cells differentiating into neuronal cells. (TargetMol Bioactive Compound Library)
Cell lines
1
Organisms
0
Compound Sets
3
MedChem Express Bioactive Compound Library
HY-N0762
Selleckchem Bioactive Compound Library
isobavachin
TargetMol Bioactive Compound Library
T3931
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
324.14
Hydrogen Bond Acceptors
4
Hydrogen Bond Donors
2
Rotatable Bonds
3
Ring Count
3
Aromatic Ring Count
2
cLogP
4.31
TPSA
66.76
Fraction CSP3
0.25
Chiral centers
1.0
Largest ring
6.0
QED
0.83
Structural alerts
0
No structural alerts detected
Related compounds
Custom attributes
(extracted from source data)
Target
Autophagy
Cytochrome P450
NF-κB
p38 MAPK
Pathway
MAPK/ERK Pathway
Metabolic Enzyme/Protease
NF-¦ÊB
Source data