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Coniferyl ferulate

CAT: 0013-GTR19157104-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19157104-01Size:200 mg
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Description
Coniferyl ferulate is a strong inhibitor of glutathione S-transferase (GST) isolated from Radix Angelicae sinensis. It shows strong inhibition of human placental GST (IC50: 0.3 μM) . It also reverses multidrug resistance and downregulates P-glycoprotein.
CAS Number
63644-62-2
Purity
>98% (HPLC)
Solubility
DMSO:20mg/ml (56.12mM)
Smiles
COc (cc (C=CCOC (C=Cc (cc1) cc (OC) c1O) =O) cc1) c1O
Molecular Formula
C20H20O6
Molecular Weight
356.4
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
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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