Flavone

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

What is the Flavone?

The molecule Flavone presents a molecular formula of C15H10O2 and its IUPAC name is 2-phenylchromen-4-one.

Flavones are a class of plant-based compounds that belong to the flavonoid family. They are characterized by a chemical structure that consists of a modified phenyl ring with a 2-phenylchromen-4-one backbone. Flavones are found in a wide variety of plants, including fruits, vegetables, herbs, and spices, and are responsible for the yellow, orange, and blue pigments in many flowers..

Flavones have a number of potential health benefits, including antioxidant, anti-inflammatory, and antiviral properties. They may also have a role in the prevention and treatment of certain diseases, such as cancer, cardiovascular disease, and diabetes..

Some common flavones include apigenin, luteolin, and chrysin. Apigenin belongs in a variety of plants, including parsley, chamomile, and celery, and has been shown to have antioxidant and anti-inflammatory properties. Luteolin belongs in peppers, thyme, and broccoli, and has been shown to have anti-inflammatory and antiviral properties. Chrysin belongs in passionflower, propolis, and honey, and has been shown to have anti-inflammatory and anti-anxiety effects..

Flavones can be consumed through the diet by eating foods that are rich in these compounds, such as onions, garlic, tea, and citrus fruits. They can also be taken as supplements, although it is important to speak with a healthcare provider before taking any supplements, as they can interact with certain medications and may cause side effects in some people..

Summary

From all the above, flavones are a class of plant-based compounds that belong to the flavonoid family and are found in a variety of plants, including fruits, vegetables, herbs, and spices. They have a number of potential health benefits, including antioxidant, anti-inflammatory, and antiviral properties, and may have a role in the prevention and treatment of certain diseases. Some common flavones include apigenin, luteolin, and chrysin, which can be consumed through the diet or taken as supplements. It is important to speak with a healthcare provider before taking flavone supplements, as they can interact with certain medications and may cause side effects in some people..

3D structure

Cartesian coordinates

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

2D drawing

 

Flavone VHBFFQKBGNRLFZ-UHFFFAOYSA-N chemical compound 2D structure molecule svg
Flavone

 

Molecule descriptors

 
IUPAC name2-phenylchromen-4-one
InChI codeInChI=1S/C15H10O2/c16-13-10-15(11-6-2-1-3-7-11)17-14-9-5-4-8-12(13)14/h1-10H
InChI KeyVHBFFQKBGNRLFZ-UHFFFAOYSA-N
SMILESO=c1cc(-c2ccccc2)oc2ccccc12

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.

  • 11091-19-3
  • 2-PHENYL- GAMMA-BENZOPYRONE
  • 2-Phenyl-.gamma.-benzopyrone
  • 2-Phenyl-4-benzopyron
  • 2-Phenyl-4-chromone
  • 2-Phenyl-4H-1-benzopyran-4-one
  • 2-Phenyl-4H-benzopyran-4-one
  • 2-Phenyl-4H-chromen-4-on
  • 2-Phenyl-4H-chromen-4-one
  • 2-Phenyl-4H-chromen-4-one #
  • 2-Phenyl-chromen-4-one
  • 2-Phenyl-gamma-benzopyrone
  • 2-Phenylbenzo[b]pyran-4-one
  • 2-Phenylbenzopyran-4-one
  • 2-Phenylchromone
  • 2-phenyl-1,4-benzopyrone
  • 2-phenyl-1-benzopyran-4-one
  • 2-phenyl-4H-chromone
  • 2-phenylchromen-4-one
  • 4H-1-Benzopyran-4-one, 2-phenyl-
  • 4h-1-benzopyran-4-one,2-phenyl-
  • 4hki
  • 525-82-6
  • 525F826
  • 54849-74-0
  • 66585-04-4
  • 6CC153EB-39A6-42FC-BE96-C8BF1D585E27
  • A829155
  • AC-35144
  • ACon1_000055
  • AS-58464
  • Asmacoril
  • BDBM50028962
  • BIDD:ER0515
  • BRN 0157598
  • C10043
  • CBiol_000263
  • CCG-214679
  • CCRIS 4288
  • CS-0022637
  • CU-00000000060-1
  • Citrus Aurantium Extract pound Hesperidin pound(c)
  • Cromaril
  • Cromarile
  • Chaste tree berry Extract
  • Chromocor
  • DB-052142
  • DB07776
  • DSSTox_CID_2048
  • DSSTox_GSID_22048
  • DSSTox_RID_76467
  • F-2700
  • F0015
  • FLAVONE
  • FLN
  • FT-0603450
  • Flavon
  • Flavone
  • Flavone - CASMI2016 Category 1 - Challenge 12
  • Flavone, Flavone
  • GTPL409
  • HMS1446A06
  • HMS2269O06
  • HMS3604K19
  • HY-N2424
  • ICCB2_000263
  • IDI1_016673
  • L001213
  • LMPK12110097
  • MEGxp0_001685
  • MFCD00006825
  • MLS002177804
  • MLS002473400
  • MLS002638647
  • Maybridge3_005286
  • NCGC00090962-01
  • NCGC00090962-02
  • NCGC00090962-03
  • NCGC00090962-04
  • NCGC00090962-05
  • NCGC00090962-06
  • NCGC00168837-01
  • NCGC00260532-01
  • NSC 19028
  • NSC-19028
  • NSC19028
  • Phenylchromone
  • Q2742033
  • S2V45N7G3B
  • SMR000112315
  • STK164205
  • bmse000945
  • s3967

Reference codes for other databases

There exist several different chemical codes commonly used in orded to identify molecules:
  • ZINC57674
  • CAS-525-82-6
  • UNII-S2V45N7G3B
  • AKOS000603572
  • BRD-K86741145-001-01-5
  • DTXSID2022048
  • CHEMBL275638
  • CHEBI:42491
  • Tox21_202987
  • Tox21_400059
  • EINECS 208-383-8
  • SCHEMBL18879

Physico-Chemical properties

IUPAC name2-phenylchromen-4-one
Molecular formulaC15H10O2
Molecular weight222.239
Melting point (ºC)
Boiling point (ºC)
Density (g/cm3)
Molar refractivity67.92
LogP3.5
Topological polar surface area30.2

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.