Chrysoeriol
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This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Chrysoeriol
- DrugBank Accession Number
- DB17283
- Background
Not Available
- Type
- Small Molecule
- Groups
- Investigational
- Structure
- Weight
- Average: 300.266
Monoisotopic: 300.063388106 - Chemical Formula
- C16H12O6
- Synonyms
- 3'-methoxy-4',5,7-trihydroxyflavone
- 3'-methoxyapigenin
- 3'-o-methylluteolin
- 4h-1-benzopyran-4-one, 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-
- 5,7,4'-trihydroxy-3'-methoxyflavone
- Chryseriol
- Chrysoriol
- Cresorol
- Luteolin 3'-methyl ether
Pharmacology
- Indication
Not Available
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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
- 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
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- Q813145M20
- CAS number
- 491-71-4
- InChI Key
- SCZVLDHREVKTSH-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H12O6/c1-21-14-4-8(2-3-10(14)18)13-7-12(20)16-11(19)5-9(17)6-15(16)22-13/h2-7,17-19H,1H3
- IUPAC Name
- 5,7-dihydroxy-2-(4-hydroxy-3-methoxyphenyl)-4H-chromen-4-one
- SMILES
- COC1=CC(=CC=C1O)C1=CC(=O)C2=C(O)C=C(O)C=C2O1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0030667
- KEGG Compound
- C04293
- ChemSpider
- 4444263
- BindingDB
- 50241084
- ChEBI
- 16514
- ChEMBL
- CHEMBL214321
- ZINC
- ZINC000000519621
- Wikipedia
- Chrysoeriol
Clinical Trials
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 0.0684 mg/mL ALOGPS logP 3.07 ALOGPS logP 2.55 Chemaxon logS -3.6 ALOGPS pKa (Strongest Acidic) 6.58 Chemaxon pKa (Strongest Basic) -4.8 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 96.22 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 79.38 m3·mol-1 Chemaxon Polarizability 29.74 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 No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
Spectrum Spectrum Type Splash Key Predicted 1H NMR Spectrum 1D NMR Not Applicable Predicted 13C NMR Spectrum 1D NMR Not Applicable - Chromatographic Properties
Collision Cross Sections (CCS)
Not Available
Drug created at December 01, 2022 19:25 / Updated at December 01, 2022 23:19