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6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone

CAT: 0931-TN7116-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0931-TN7116-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
114021-62-4
Target
Others, Antibacterial
Related Pathways
Others, Microbiology/Virology
Bioactivity
6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone is an alkenylphenol from Piper obliquum with antiinflammatory and antibacterial activities.
Smiles
COc(ccc(/C=C/C(c(c(O)cc(OC)c1OC)c1OC)=O)c1)c1OC
Molecular Formula
C20H22O7
Molecular Weight
374.38
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone

6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone has been reported in Piper obliquum and Chromolaena odorata with data available.

CAS Number114021-62-4
PubChem CID13802644
IUPAC Name(E)-3-(3,4-dimethoxyphenyl)-1-(6-hydroxy-2,3,4-trimethoxyphenyl)prop-2-en-1-one
Molecular FormulaC20H22O7
Molecular Weight374.4
XLogP3.7
Topological Polar Surface Area83.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count27
Formal Charge0
Complexity495
SMILES
COC1=C(C=C(C=C1)/C=C/C(=O)C2=C(C(=C(C=C2O)OC)OC)OC)OC
InChI
InChI=1S/C20H22O7/c1-23-15-9-7-12(10-16(15)24-2)6-8-13(21)18-14(22)11-17(25-3)19(26-4)20(18)27-5/h6-11,22H,1-5H3/b8-6+
InChIKey
YYGVWBCOVUSNQT-SOFGYWHQSA-N
Chemical Structure
2D Structure
2D structure of 6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone
CAS: 114021-62-4
CID: 13802644
Formula: C20H22O7
MW: 374.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight374.4
XLogP33.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass374.13655304
Monoisotopic Mass374.13655304
Topological Polar Surface Area83.5 Ų
Heavy Atom Count27
Formal Charge0
Complexity495
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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