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2'-hydroxy-3,4,4',5',6'-pentamethoxychalcone

CAT: 0013-GTR19279177-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19279177-01Size:1 mg
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Description
Aspergillumarin B (Compound 2) is a dihydroisocoumarin derivative that can be isolated from the endophytic fungus [Aspergillus sp.]. It exhibits weak antibacterial activity against [Staphylococcus aureus] and [Bacillus subtilis].
CAS Number
65602-54-2
Purity
99.70% (May vary between batches)
Smiles
O=C (C=CC1=CC=C (OC) C (OC) =C1) C2=C (O) C=C (OC) C (OC) =C2OC
Molecular Formula
C20H22O7
Molecular Weight
374.39
Notes
For research use only.

Chemical Information

2'-Hydroxy-4',5',6',3,4-pentamethoxychalcone

2'-Hydroxy-4',5',6',3,4-pentamethoxychalcone has been reported in Piper obliquum and Chromolaena odorata with data available.

CAS Number65602-54-2
PubChem CID73187685
IUPAC Name3-(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=CC(=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
InChIKey
YYGVWBCOVUSNQT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2'-Hydroxy-4',5',6',3,4-pentamethoxychalcone
CAS: 65602-54-2
CID: 73187685
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 Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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