3-Methoxy Quercetin

3-Methoxy Quercetin
Compound Structure:
Synonyms: 3-O-Methylquercetin;1486-70-0;2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-methoxy-4H-chromen-4-one;3',4',5,7-Tetrahydroxy-3-methoxyflavone;Quercetin 3-methyl ether;3-Methylquercetol;3-O-Methyl Quercetin;Quercetin-3-O-methyl ether
Compound ID: NMPC-360
PubChem ID:

5280681
Molecular Formula: C16H12O7
Canonical SMILES: COC1=C(OC2=CC(=CC(=C2C1=O)O)O)C3=CC(=C(C=C3)O)O
InChIKey: WEPBGSIAWZTEJR-UHFFFAOYSA-N
About the compound:

3',4',5,7-tetrahydroxy-3-methoxyflavone is a tetrahydroxyflavone that features hydroxy groups at positions 3', 4', 5, and 7, as well as a methoxy group at position 2. It serves a role as a metabolite and exhibits antimicrobial properties. This compound is categorized as a tetrahydroxyflavone and is also classified as a monomethoxyflavone. Structurally, it is functionally related to quercetin and can be viewed as the conjugate acid of 3',4',5-trihydroxy-3-methoxyflavon-7-olate. 3-O-Methylquercetin is a natural product found in various organisms, including Lotus ucrainicus and Wollastonia biflora.

GHS Hazard Statements

• H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

316.26 g/mol

XLogP3-AA

2.5

Hydrogen Bond Donor Count

4

Hydrogen Bond Acceptor Count

7

Rotatable Bond Count

2

Exact Mass

316.05830272 g/mol

Monoisotopic Mass

316.05830272 g/mol

Topological Polar Surface Area

116Ų

Heavy Atom Count

23

Formal Charge

0

Complexity

503

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem
Source Species: Caesalpinia bonduc
Garcinia kola
Physalis angulata
Loranthus micranthus Linn
Indigofera secundiflora
Download SDF