Rhamnetin
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Rhamnetin
- DrugBank Accession Number
- DB16772
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 316.265
Monoisotopic: 316.058302726 - Chemical Formula
- C16H12O7
- Synonyms
- 7-Methoxyquercetin
- 7-Methylquercetin
- 7-O-Methylquercetin
- beta-Rhamnocitrin
- Quercetin 7-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
- 71803L5F4S
- CAS number
- 90-19-7
- InChI Key
- JGUZGNYPMHHYRK-UHFFFAOYSA-N
- InChI
- InChI=1S/C16H12O7/c1-22-8-5-11(19)13-12(6-8)23-16(15(21)14(13)20)7-2-3-9(17)10(18)4-7/h2-6,17-19,21H,1H3
- IUPAC Name
- 2-(3,4-dihydroxyphenyl)-3,5-dihydroxy-7-methoxy-4H-chromen-4-one
- SMILES
- COC1=CC2=C(C(O)=C1)C(=O)C(O)=C(O2)C1=CC(O)=C(O)C=C1
References
- General References
- Not Available
- External Links
- Human Metabolome Database
- HMDB0133823
- KEGG Compound
- C10176
- ChemSpider
- 4445008
- BindingDB
- 23410
- ChEBI
- 74992
- ChEMBL
- CHEMBL312163
- ZINC
- ZINC000003875620
- PDBe Ligand
- J8G
- Wikipedia
- Rhamnetin
- PDB Entries
- 6m8e
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 0.15 mg/mL ALOGPS logP 1.97 ALOGPS logP 2.3 Chemaxon logS -3.3 ALOGPS pKa (Strongest Acidic) 7.13 Chemaxon pKa (Strongest Basic) -4 Chemaxon Physiological Charge -1 Chemaxon Hydrogen Acceptor Count 7 Chemaxon Hydrogen Donor Count 4 Chemaxon Polar Surface Area 116.45 Å2 Chemaxon Rotatable Bond Count 2 Chemaxon Refractivity 81.34 m3·mol-1 Chemaxon Polarizability 30.62 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 MS/MS Spectrum - 10V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0009000000-c71413dc32fe1817519f Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0009000000-59b3314a3a1c04c96aeb Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0095000000-04c76e190b872ed71887 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-014i-0019000000-98209ae956b839ffc7f1 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-00dr-0390000000-42ec1f47eadee7da2f67 Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-059f-0690000000-1187bdc6602e82acaaea 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]- 187.1864326 predictedDarkChem Lite v0.1.0 [M-H]- 187.6476326 predictedDarkChem Lite v0.1.0 [M-H]- 187.3546326 predictedDarkChem Lite v0.1.0 [M-H]- 173.87225 predictedDeepCCS 1.0 (2019) [M+H]+ 188.9526326 predictedDarkChem Lite v0.1.0 [M+H]+ 189.7026326 predictedDarkChem Lite v0.1.0 [M+H]+ 189.6846326 predictedDarkChem Lite v0.1.0 [M+H]+ 176.23027 predictedDeepCCS 1.0 (2019) [M+Na]+ 188.6080326 predictedDarkChem Lite v0.1.0 [M+Na]+ 188.5856326 predictedDarkChem Lite v0.1.0 [M+Na]+ 188.1936326 predictedDarkChem Lite v0.1.0 [M+Na]+ 183.3036 predictedDeepCCS 1.0 (2019)
Drug created at March 17, 2022 03:34 / Updated at March 17, 2022 22:25