ChemFOnt: Showing chemical card for 5,7-Dihydroxyisoflavone (CFc000011905)

Record Information

Version

1.0

Creation Date

2022-08-28 10:25:12 UTC

Update Date

2022-09-13 18:59:48 UTC

Chemfont ID

CFc000011905

Molecule Identification

Common Name

5,7-Dihydroxyisoflavone

Definition

5,7-Dihydroxyisoflavone is found in nuts. 5,7-Dihydroxyisoflavone is isolated from hydrolysed flour of Arachis hypogaea (peanut) Mefenamic acid, an anthranilic acid derivative, is a member of the fenamate group of nonsteroidal anti-inflammatory drugs (NSAIDs). It exhibits anti-inflammatory, analgesic, and antipyretic activities. Similar to other NSAIDs, mefenamic acid inhibits prostaglandin synthetase

Structure

MOL SDF PDB SMILES InChI

Synonyms

Value	Source
2',3'-Dimethyl-2-diphenylaminecarboxylic acid	HMDB
2-((2,3-Dimethylphenyl)amino)-benzoic acid	HMDB
2-((2,3-Dimethylphenyl)amino)benzoic acid	HMDB
2-(2,3-dimethylanilino)Benzoic acid	HMDB
2-(2,3-Dimethylphenyl)amino-benzoic acid	HMDB
2-[(2,3-Dimethylphenyl)amino]-benzoic acid	HMDB
2-[(2,3-Dimethylphenyl)amino]benzoic acid	HMDB
5,7-Dihydroxy-3-phenyl-4H-1-benzopyran-4-one, 9ci	HMDB
Ac. mefenamico	HMDB
Acid, mefenamic	HMDB, MeSH
Acid, mefenaminic	HMDB
acido Mefenamico	HMDB
Acidum mefenamicum	HMDB
Antigen brand OF mefenamic acid	HMDB
apo Mefenamic	HMDB, MeSH
apo-Mefenamic	HMDB, MeSH
Apomefenamic	HMDB
Apotex brand OF mefenamic acid	HMDB
Aps brand OF mefenamic acid	HMDB
Ashbourne brand OF mefenamic acid	HMDB
Bafameritin-m	HMDB
Bafhameritin-m	HMDB
Bonabol	HMDB
Chemidex brand OF mefenamic acid	HMDB
Clonmel brand OF mefenamic acid	HMDB
Contraflam	HMDB, MeSH
Coslan	HMDB, MeSH
Dysman	HMDB, MeSH
Elan brand OF mefenamic acid	HMDB
Farmasierra brand OF mefenamic acid	HMDB
Fenamin	HMDB
First horizon brand OF mefenamic acid	HMDB
Forte, ponstan	HMDB
Lysalgo	HMDB
Mefac	HMDB, MeSH
Mefacit	HMDB, MeSH
Mefedolo	HMDB
Mefenamate	HMDB
Mefenamic acid	HMDB, MeSH
Mefenamic acid (JP15/usp/inn)	HMDB
Mefenaminic acid	HMDB, MeSH
Mefic	HMDB, MeSH
Mephenamic acid	HMDB
Mephenaminic acid	HMDB
Methenamic acid	HMDB
Mycasaal	HMDB
N-(2, 3-Dimethylphenyl)anthranilic acid	HMDB
N-(2,3-Dimethylphenyl)anthranilic acid	HMDB
N-(2,3-Xylyl)-2-aminobenzoic acid	HMDB
N-(2,3-Xylyl)-anthranilic acid	HMDB
N-(2,3-Xylyl)anthranilic acid	HMDB
N-2,3-Xylyl-anthranilic acid	HMDB
N-2,3-Xylylanthranilic acid	HMDB
Namphen	HMDB
Nu mefenamic	HMDB, MeSH
Nu pharm brand OF mefenamic acid	HMDB
Nu-mefenamic	HMDB, MeSH
Nu-pharm brand OF mefenamic acid	HMDB
Numefenamic	HMDB
Parke davis brand OF mefenamic acid	HMDB
Parkemed	HMDB, MeSH
Pfizer brand OF mefenamic acid	HMDB
Pharmascience brand OF mefenamic acid	HMDB
Pinalgesic	HMDB, MeSH
Pinewood brand OF mefenamic acid	HMDB
PMS Mefenamic acid	HMDB, MeSH
PMS-Mefenamic acid	HMDB, MeSH
Ponalar	HMDB, MeSH
Ponalgic	HMDB, MeSH
Ponmel	HMDB, MeSH
Ponstan	HMDB, MeSH
Ponstan forte	HMDB, MeSH
Ponstel	HMDB, MeSH
Ponstil	HMDB
Ponstyl	HMDB
Ponsyl	HMDB, MeSH
Pontal	HMDB, MeSH
Rolan	HMDB
Rowa brand OF mefenamic acid	HMDB
Tamany bonsan	HMDB
Tanston	HMDB
Vialidon	HMDB
Warner lambert brand OF mefenamic acid	HMDB
Warner-lambert brand OF mefenamic acid	HMDB

Chemical Formula

C₁₅H₁₀O₄

Average Molecular Weight

254.2375

Monoisotopic Molecular Weight

254.057908808

IUPAC Name

5,7-dihydroxy-3-phenyl-4H-chromen-4-one

Traditional Name

5,7-dihydroxy-3-phenylchromen-4-one

CAS Registry Number

4044-00-2

SMILES

OC1=CC(O)=C2C(OC=C(C2=O)C2=CC=CC=C2)=C1

InChI Identifier

InChI=1S/C15H10O4/c16-10-6-12(17)14-13(7-10)19-8-11(15(14)18)9-4-2-1-3-5-9/h1-8,16-17H

InChI Key

PJJGZPJJTHBVMX-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoflavones. These are polycyclic compounds containing a 2-isoflavene skeleton which bears a ketone group at the C4 carbon atom.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflav-2-enes

Direct Parent

Isoflavones

Alternative Parents

Substituents

Hydroxyisoflavonoid
Isoflavone
Chromone
Benzopyran
1-benzopyran
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Pyranone
Monocyclic benzene moiety
Pyran
Benzenoid
Heteroaromatic compound
Vinylogous acid
Oxacycle
Organoheterocyclic compound
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Isoflavonoids (LMPK12050160 )

Functional Ontology

Physiological effect

Organoleptic effect

Taste

Bitter

Disposition

Biological location

Cellular substructure

Membrane (HMDB: HMDB0030699)
Cell membrane (HMDB: HMDB0030699)

Route of exposure

Enteral

Ingestion (HMDB: HMDB0030699)

Source

Exogenous

Exogenous (HMDB: HMDB0030699)

Food

Food (HMDB: HMDB0030699)

Nut

Peanut (FooDB: FOOD00016)
Nuts (FooDB: FOOD00869)

Endogenous

Endogenous (HMDB: HMDB0030699)

Plant

Plant (HMDB: HMDB0030699)

Process

Not Available

Role

Not Available

Physical Properties

Predicted Properties

Property	Value	Source
Water Solubility	0.11 g/L	ALOGPS
logP	3.43	ALOGPS
logP	3.38	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	6.61	ChemAxon
pKa (Strongest Basic)	-5.2	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	69.7 m³·mol⁻¹	ChemAxon
Polarizability	25.54 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon