Recoflavone

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Logo pink
Are you a
new drug developer?
Contact us to learn more about our customized products and solutions.
Name
Recoflavone
Accession Number
DB12058
Type
Small Molecule
Groups
Investigational
Description

Recoflavone has been used in trials studying the treatment of Acute Gastritis, Dry Eye Syndrome, and Chronic Gastritis.

Structure
Thumb
Synonyms
Not Available
External IDs
DA 6034 / DA-6034
Categories
UNII
U96J5LG435
CAS number
203191-10-0
Weight
Average: 386.356
Monoisotopic: 386.10016754
Chemical Formula
C20H18O8
InChI Key
BCPQOBQIVJZOFL-UHFFFAOYSA-N
InChI
InChI=1S/C20H18O8/c1-24-14-5-4-11(6-16(14)25-2)15-9-13(21)20-17(26-3)7-12(8-18(20)28-15)27-10-19(22)23/h4-9H,10H2,1-3H3,(H,22,23)
IUPAC Name
2-{[2-(3,4-dimethoxyphenyl)-5-methoxy-4-oxo-4H-chromen-7-yl]oxy}acetic acid
SMILES
COC1=CC=C(C=C1OC)C1=CC(=O)C2=C(OC)C=C(OCC(O)=O)C=C2O1

Pharmacology

Indication
Not Available
Pharmacodynamics
Not Available
Mechanism of action
Not Available
Absorption
Not Available
Volume of distribution
Not Available
Protein binding
Not Available
Metabolism
Not Available
Route of elimination
Not Available
Half life
Not Available
Clearance
Not Available
Toxicity
Not Available
Affected organisms
Not Available
Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
Not Available
Food Interactions
Not Available

References

General References
Not Available
External Links
PubChem Compound
9952125
PubChem Substance
347828367
ChemSpider
8127736

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1CompletedTreatmentDry Eye Syndrome (DES)1
2CompletedTreatmentDry Eye Syndrome (DES)1
3Unknown StatusTreatmentGastritis Acute / Gastritis Chronic1

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage forms
Not Available
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0158 mg/mLALOGPS
logP2.67ALOGPS
logP1.81ChemAxon
logS-4.4ALOGPS
pKa (Strongest Acidic)2.79ChemAxon
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area100.52 Å2ChemAxon
Rotatable Bond Count7ChemAxon
Refractivity98.91 m3·mol-1ChemAxon
Polarizability39.32 Å3ChemAxon
Number of Rings3ChemAxon
Bioavailability1ChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
Predicted ADMET features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available

Taxonomy

Description
This compound belongs to the class of organic compounds known as 5-o-methylated flavonoids. These are flavonoids with methoxy groups attached to the C5 atom of the flavonoid backbone.
Kingdom
Organic compounds
Super Class
Phenylpropanoids and polyketides
Class
Flavonoids
Sub Class
O-methylated flavonoids
Direct Parent
5-O-methylated flavonoids
Alternative Parents
3'-O-methylated flavonoids / 4'-O-methylated flavonoids / Flavones / Phenoxyacetic acid derivatives / Chromones / Dimethoxybenzenes / Phenoxy compounds / Anisoles / Pyranones and derivatives / Alkyl aryl ethers
show 8 more
Substituents
3p-methoxyflavonoid-skeleton / 4p-methoxyflavonoid-skeleton / 5-methoxyflavonoid-skeleton / Flavone / Chromone / Phenoxyacetate / Benzopyran / O-dimethoxybenzene / Dimethoxybenzene / 1-benzopyran
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available

Drug created on October 20, 2016 15:16 / Updated on June 04, 2019 07:31