Recoflavone

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

Identification

Generic Name
Recoflavone
DrugBank Accession Number
DB12058
Background

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

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 386.356
Monoisotopic: 386.10016754
Chemical Formula
C20H18O8
Synonyms
  • Recoflavone
External IDs
  • DA 6034
  • DA-6034

Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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

Adverse Effects
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Toxicity

Not Available

Pathways
Not Available
Pharmacogenomic Effects/ADRs
Not Available

Interactions

Drug Interactions
This information should not be interpreted without the help of a healthcare provider. If you believe you are experiencing an interaction, contact a healthcare provider immediately. The absence of an interaction does not necessarily mean no interactions exist.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
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
1-benzopyran / 3p-methoxyflavonoid-skeleton / 4p-methoxyflavonoid-skeleton / 5-methoxyflavonoid-skeleton / Alkyl aryl ether / Anisole / Aromatic heteropolycyclic compound / Benzenoid / Benzopyran / Carbonyl group
show 23 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
Not Available
Affected organisms
Not Available

Chemical Identifiers

UNII
U96J5LG435
CAS number
203191-10-0
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

References

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

Clinical Trials

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

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/MSsplash10-00kr-0009000000-7e04044d835bcf555039
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0570-9003000000-a9610729a891a06b4709
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0573-7049000000-4fcdbd6132dc58d21e10
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0a4l-5009000000-680aa4d4aaabfa57d224
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-004j-0097000000-8d989acb931f00aa7e57
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00vr-7593000000-4ea134147bb129f971da
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-215.185233
predicted
DarkChem Lite v0.1.0
[M-H]-180.86076
predicted
DeepCCS 1.0 (2019)
[M+H]+215.354733
predicted
DarkChem Lite v0.1.0
[M+H]+183.21877
predicted
DeepCCS 1.0 (2019)
[M+Na]+214.926633
predicted
DarkChem Lite v0.1.0
[M+Na]+189.99971
predicted
DeepCCS 1.0 (2019)

Drug created at October 20, 2016 21:16 / Updated at February 21, 2021 18:53