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5,6,7-Trimethoxyflavone 5mg

CAT: 0628-A19612-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A19612-5Size:5 mg
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CAS Number
973-67-1

Chemical Information

5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one

5,6,7-trimethoxyflavone is a trimethoxyflavone that is the 5,6,7-trimethyl ether derivative of baicalein. It has been isolated from the plant Callicarpa japonica and has been shown to exhibit antiviral activity. It has a role as an anti-HSV-1 agent and a plant metabolite. It is functionally related to a baicalein.

CAS Number973-67-1
PubChem CID442583
IUPAC Name5,6,7-trimethoxy-2-phenylchromen-4-one
Molecular FormulaC18H16O5
Molecular Weight312.3
XLogP3.1
Topological Polar Surface Area54
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity454
SMILES
COC1=C(C(=C2C(=C1)OC(=CC2=O)C3=CC=CC=C3)OC)OC
InChI
InChI=1S/C18H16O5/c1-20-15-10-14-16(18(22-3)17(15)21-2)12(19)9-13(23-14)11-7-5-4-6-8-11/h4-10H,1-3H3
InChIKey
HJNJAUYFFFOFBW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5,6,7-Trimethoxy-2-phenyl-4H-1-benzopyran-4-one
CAS: 973-67-1
CID: 442583
Formula: C18H16O5
MW: 312.3
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight312.3
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass312.09977361
Monoisotopic Mass312.09977361
Topological Polar Surface Area54 Ų
Heavy Atom Count23
Formal Charge0
Complexity454
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes