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2',4'-Dihydroxy-2,3',6'-trimethoxychalcone

CAT: 0013-GTR19182684Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19182684Size:5 mg
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Description
This compound (CAS 100079-39-8) is a chalcone isolated from Scutellaria species. It serves as a reference standard for research, including in vitro studies investigating its potential biological activities such as antioxidant and anti-inflammatory effects.
CAS Number
100079-39-8
Smiles
COc1ccccc1\C=C\C (=O) c1c (OC) cc (O) c (OC) c1O
Molecular Formula
C18H18O6
Molecular Weight
330.33
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

2',4'-Dihydroxy-2,3',6'-trimethoxychalcone

(E)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one has been reported in Scutellaria discolor and Scutellaria barbata with data available.

CAS Number100079-39-8
PubChem CID21636239
IUPAC Name(E)-1-(2,4-dihydroxy-3,6-dimethoxyphenyl)-3-(2-methoxyphenyl)prop-2-en-1-one
Molecular FormulaC18H18O6
Molecular Weight330.3
XLogP3.4
Topological Polar Surface Area85.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count24
Formal Charge0
Complexity437
SMILES
COC1=CC=CC=C1/C=C/C(=O)C2=C(C=C(C(=C2O)OC)O)OC
InChI
InChI=1S/C18H18O6/c1-22-14-7-5-4-6-11(14)8-9-12(19)16-15(23-2)10-13(20)18(24-3)17(16)21/h4-10,20-21H,1-3H3/b9-8+
InChIKey
CRKKMWPCJTZZRE-CMDGGOBGSA-N
Chemical Structure
2D Structure
2D structure of 2',4'-Dihydroxy-2,3',6'-trimethoxychalcone
CAS: 100079-39-8
CID: 21636239
Formula: C18H18O6
MW: 330.3
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight330.3
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass330.11033829
Monoisotopic Mass330.11033829
Topological Polar Surface Area85.2 Ų
Heavy Atom Count24
Formal Charge0
Complexity437
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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