Diosmetin

A summary of the most common chemical descriptors (InChI Key and SMILES codes) for Diosmetin are summarized together with 3D and 2D structures and relevant physico-chemical properties.

What is the Diosmetin?

The molecule Diosmetin presents a molecular formula of C16H12O6 and its IUPAC name is 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one.

Diosmetin is a molecule that can be found in a variety of plants. It is part of the flavonoid family, and has a wide range of benefits for human health. Some of these benefits include:.

1. Diosmetin can act as an antioxidant in the body, helping to protect cells from damage..

2. It has anti-inflammatory properties, which can help to reduce swelling and pain..

3. Diosmetin may help to improve blood sugar control in people with diabetes..

4. It may also help to lower cholesterol levels..

5. Diosmetin has been shown to kill cancer cells in laboratory studies..

6. It may also help to boost the immune system..

7. Diosmetin belongs in a variety of fruits and vegetables, including grapes, oranges, and tomatoes..

8. It is also available in supplement form..

9. Diosmetin is generally considered safe, but some people may experience side effects such as headache, dizziness, or gastrointestinal upset..

10. If you are considering taking diosmetin supplements, be sure to speak with your healthcare provider first..

3D structure

Cartesian coordinates

Geometry of Diosmetin in x, y and z coordinates (Å units) to copy/paste elsewhere. Generated with Open Babel software.

2D drawing

 

Diosmetin MBNGWHIJMBWFHU-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Diosmetin

 

Molecule descriptors

 
IUPAC name5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
InChI codeInChI=1S/C16H12O6/c1-21-13-3-2-8(4-10(13)18)14-7-12(20)16-11(19)5-9(17)6-15(16)22-14/h2-7,17-19H,1H3
InChI KeyMBNGWHIJMBWFHU-UHFFFAOYSA-N
SMILESCOc1ccc(-c2cc(=O)c3c(O)cc(O)cc3o2)cc1O

Other names (synonyms)

IUPAC nomenclature provides a standardized method for naming chemical compounds. Although this system is widely used in chemistry, many chemical compounds have also other names commonly used in different contexts. These synonyms can come from a variety of sources and are used for a variety of purposes.

One common source of synonyms for chemical compounds is the common or trivial names, assigned on the basis of appearance, properties, or origin of the molecule.

Another source of synonyms are historical or obsolete names employed in the past, however replaced nowadays by more modern or standardized names.

In addition to common and historical names, chemical compounds may also have synonyms that are specific to a particular field or industry.

  • 2-(4-methoxy-3-oxidanyl-phenyl)-5,7-bis(oxidanyl)chromen-4-one
  • 3',5,7-trihydroxy-4'-methoxy flavone
  • 3',5,7-trihydroxy-4'-methoxyflavone
  • 4'-Methylluteolin
  • 4H-1-Benzopyran-4-one, 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-
  • 5,7,3'-Trihydroxy-4'-methoxyflavone
  • 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4-benzopyrone
  • 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one
  • 5,7-Dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-1-benzopyran-4-one (Diosmetin)
  • 5,7-dihydroxy-2-(3-hydroxy-4-methoxy-phenyl)chromen-4-one
  • 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-1-benzopyran-4-one
  • 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-4H-chromen-4-one
  • 5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
  • 520-34-3
  • 520D343
  • A828902
  • A871094
  • AC-34868
  • BBL027839
  • BCP28283
  • BDBM23414
  • BS-17174
  • BSPBio_002653
  • C10038
  • CCG-38758
  • CS-5455
  • CYANIDENON-4'-METHYL ETHER 1479
  • D4441
  • DB-050154
  • DB11259
  • DIOSMETOL
  • Diosmetin
  • Diosmetin (Luteolin 4-methyl ether)
  • Diosmetine
  • DivK1c_006531
  • FT-0603442
  • FT-0667618
  • Flavone, 3',5,7-trihydroxy-4'-methoxy-
  • HMS3656G13
  • HSDB 8101
  • HY-N0125
  • J8D
  • KBio1_001475
  • KBio2_001985
  • KBio2_004553
  • KBio2_007121
  • KBio3_001873
  • KBioGR_001586
  • KBioSS_001985
  • LMPK12110824
  • LUTEOLIN-4'-METHYL ETHER
  • Luteolin 4'-methyl ether
  • Luteolin 4-methyl ether
  • MFCD00017425
  • MLS006011843
  • NCGC00163540-01
  • NCGC00163540-02
  • NCGC00163540-03
  • NCGC00178549-01
  • Pillon
  • Q1649664
  • SDCCGMLS-0066783.P001
  • SMR002044787
  • SR-05000002196
  • SR-05000002196-2
  • SR-05000002196-3
  • STL146390
  • SW219332-1
  • SY066981
  • Salinigricoflavonol
  • SpecPlus_000435
  • TWZ37241OT
  • s2380

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC5733652
  • UNII-TWZ37241OT
  • AKOS005720974
  • BRD-K26862302-001-02-9
  • BRD-K26862302-001-03-7
  • DTXSID80199966
  • CHEMBL90568
  • CHEBI:4630
  • EINECS 208-291-8
  • SPBio_001735
  • SCHEMBL289337
  • Spectrum_001505
  • Spectrum2_001638
  • Spectrum3_000987
  • Spectrum4_001113
  • Spectrum5_001707

Physico-Chemical properties

IUPAC name5,7-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)chromen-4-one
Molecular formulaC16H12O6
Molecular weight300.263
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity80.48
LogP2.6
Topological polar surface area100.1

LogP and topological polar surface area (TPSA) values were estimated using Open Babel software.

The n-octanol/water partition coeficient (Kow) data is applied in toxicology and drug research. Kow values are used, to guess the environmental fate of persistent organic pollutants. High partition coefficients values, tend to accumulate in the fatty tissue of organisms. Molecules with a log(Kow) (or LogP) greater than 5 are considered to bioaccumulate.

TPSA values are the sum of the surface area over all polar atoms or molecules, mainly oxygen and nitrogen, also including hydrogen atoms.

In medicinal chemistry, TPSA is used to assess the ability of a drug to permeabilise cells.

For molecules to penetrate the blood-brain barrier (and act on receptors in the central nervous system), TPSA values below 90 Å2 are required. Thus, molecules with a polar surface area greater than 140 Å2 tend to be poorly permeable to cell membranes.