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Chemical structure of Amorfrutin B

GC42791

Amorfrutin B

Also known as 3-[(2E)-3,7-dimethylocta-2,6-dienyl]-2-hydroxy-4-methoxy-6-(2-phenylethyl)benzoic acid

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

ChemicalCAS78916-42-4MW408.5FormulaC26H32O4
CAS number
78916-42-4
Molecular weight
408.5
Formula
C26H32O4
Solubility
DMSO： soluble,Ethanol： soluble
InChIKey
DKNIJLWIVUCTHW-CPNJWEJPSA-N
Catalogue number
GC42791
Brand
GLPBIO
Computed properties PubChem CID 24739090 · XLogP 7.6 · TPSA 66.8 Ų · H-bond donors 2
XLogP
7.6
TPSA
66.8 Ų
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
30

SMILES CC(=CCC/C(=C/CC1=C(C=C(C(=C1O)C(=O)O)CCC2=CC=CC=C2)OC)/C)C

Computed descriptors from PubChem (CID 24739090), public domain. Identity cross-checked against the supplier's molecular formula and weight — verify before use.

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