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Coniferyl ferulate

CAT: 0013-GTR19171346-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19171346-01Size:1 mg
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Description
Coniferyl ferulate, isolated from Radix Angelicae sinensis, is a potent inhibitor of glutathione S-transferase (GST) with an IC50 of 0.3 μM against the human placental isoform. This small molecule also demonstrates the ability to reverse multidrug resistance by downregulating P-glycoprotein, making it a valuable tool for in vitro cancer research and MDR mechanism studies.
CAS Number
63644-62-2
Product Name Alternative
ABCB1, coniferyl ferulate, CD243, Cluster of differentiation 243, Inhibitor, inhibit, Multidrug resistance protein 1, Gutathione S-transferase, Glutathione transferases, GSTs, GST, MDR1, P-glycoprotein, Pgp, P-gp, P-gp (P-glycoprotein)
Field of Research
Cell Biology, Immunology & Inflammation, Infectious Disease & Virology, Metabolism Research, Neuroscience, Pharmacology & Drug Discovery, Signal Transduction
Purity
97.09% (May vary between batches)
Solubility
10% DMSO+90% Corn Oil:2 mg/mL (5.61 mM) ; DMSO:20 mg/mL (56.12 mM)
Smiles
COc1cc (\C=C\COC (=O) \C=C\c2ccc (O) c (OC) c2) ccc1O
Molecular Formula
C20H20O6
Molecular Weight
356.37
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Coniferyl ferulate

coniferyl ferulate has been reported in Apiaceae, Coreopsis venusta, and other organisms with data available.

CAS Number63644-62-2
PubChem CID6441913
IUPAC Name[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Molecular FormulaC20H20O6
Molecular Weight356.4
XLogP3.6
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Heavy Atom Count26
Formal Charge0
Complexity489
SMILES
COC1=C(C=CC(=C1)/C=C/COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O
InChI
InChI=1S/C20H20O6/c1-24-18-12-14(5-8-16(18)21)4-3-11-26-20(23)10-7-15-6-9-17(22)19(13-15)25-2/h3-10,12-13,21-22H,11H2,1-2H3/b4-3+,10-7+
InChIKey
PGLIMMMHQDNVRS-YZQQHVNFSA-N
Chemical Structure
2D Structure
2D structure of Coniferyl ferulate
CAS: 63644-62-2
CID: 6441913
Formula: C20H20O6
MW: 356.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight356.4
XLogP33.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count8
Exact Mass356.12598835
Monoisotopic Mass356.12598835
Topological Polar Surface Area85.2 Ų
Heavy Atom Count26
Formal Charge0
Complexity489
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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