3,2'-Dimethoxyflavone - CAS 105827-35-8
Catalog: |
BB067307 |
Product Name: |
3,2'-Dimethoxyflavone |
CAS: |
105827-35-8 |
Synonyms: |
3-Methoxy-2-(2-methoxyphenyl)-4H-1-benzopyran-4-one |
IUPAC Name: | 3-methoxy-2-(2-methoxyphenyl)chromen-4-one |
Description: | 3,2'-Dimethoxyflavone (cas# 105827-35-8) is a flavenoid which, as a class of compounds, have broad pharmacological activity, including binding to biomolecules such as enzymes, hormone carriers, and DNA, chelating transition metal ions, catalyzing electron transport, and scavenging free radicals. |
Molecular Weight: | 282.29 |
Molecular Formula: | C17H14O4 |
Canonical SMILES: | COC1=CC=CC=C1C2=C(C(=O)C3=CC=CC=C3O2)OC |
InChI: | InChI=1S/C17H14O4/c1-19-13-9-5-4-8-12(13)16-17(20-2)15(18)11-7-3-6-10-14(11)21-16/h3-10H,1-2H3 |
InChI Key: | SJZIKJCJJAPNQI-UHFFFAOYSA-N |
References: | Lemanska, K., et al. Free Radic. Biol. Med., 31, 869 (2001). |
Complexity: | 429 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 282.08920892 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 282.08920892 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 44.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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