Recoflavone
Star0
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
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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
- Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!Improve decision support & research outcomes with our structured adverse effects data.
- 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
- External Links
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 3 Unknown Status Treatment Gastritis Acute / Gastritis Chronic 1 2 Completed Treatment Dry Eye Syndrome (DES) 1 1 Completed Treatment Dry 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
Property Value Source Water Solubility 0.0158 mg/mL ALOGPS logP 2.67 ALOGPS logP 1.81 Chemaxon logS -4.4 ALOGPS pKa (Strongest Acidic) 2.79 Chemaxon pKa (Strongest Basic) -4.3 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 100.52 Å2 Chemaxon Rotatable Bond Count 7 Chemaxon Refractivity 98.91 m3·mol-1 Chemaxon Polarizability 39.32 Å3 Chemaxon Number of Rings 3 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter Yes Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-00kr-0009000000-7e04044d835bcf555039 Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-0570-9003000000-a9610729a891a06b4709 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-0573-7049000000-4fcdbd6132dc58d21e10 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0a4l-5009000000-680aa4d4aaabfa57d224 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-004j-0097000000-8d989acb931f00aa7e57 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-00vr-7593000000-4ea134147bb129f971da Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 215.185233 predictedDarkChem Lite v0.1.0 [M-H]- 180.86076 predictedDeepCCS 1.0 (2019) [M+H]+ 215.354733 predictedDarkChem Lite v0.1.0 [M+H]+ 183.21877 predictedDeepCCS 1.0 (2019) [M+Na]+ 214.926633 predictedDarkChem Lite v0.1.0 [M+Na]+ 189.99971 predictedDeepCCS 1.0 (2019)
Drug created at October 20, 2016 21:16 / Updated at February 21, 2021 18:53