General
Preferred name
Amorfrutin B
Synonyms
P&D ID
PD017147
CAS
78916-42-4
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 Amorfrutin B is a partial agonist of the peroxisome proliferator-activated receptor γ (PPARγ; Ki = 19 nM and EC50 = 73 nM) that was first isolated from A. fruticosa. Amorfrutin B has low nanomolar binding affinity to pparγ and micromolar binding to the isotypes pparα and pparβ/δ, the binding affinity constant to ppargamma is 12 times lower than amorfrutin a, antidiabetic agent, glucose-lowering agent, antimicrobial agent. It binds to PPARα with 2.6 µM and PPARβ/δ with Ki values of 1.7 µM. Amorfrutin is a glucose-lowering agent and can improves insulin sensitivity, glucose tolerance and blood lipid variables without increase of fat storage or hepatoxicity. (BOC Sciences Bioactive Compounds)
Cell lines
3
Organisms
0
Compound Sets
2
BOC Sciences Bioactive Compounds
Cayman Chemical Bioactives
External IDs
14
Properties
(calculated by RDKit )
Molecular Weight
408.23
Hydrogen Bond Acceptors
3
Hydrogen Bond Donors
2
Rotatable Bonds
10
Ring Count
2
Aromatic Ring Count
2
cLogP
6.12
TPSA
66.76
Fraction CSP3
0.35
Chiral centers
0.0
Largest ring
6.0
QED
0.46
QED
0.46
Structural alerts
0
No structural alerts detected
Custom attributes
(extracted from source data)
Solubility
Soluble in DMSO, ethanol or methanol. Insoluble in water.
Source data