Dihydroxymethoxychalcone
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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
- Dihydroxymethoxychalcone
- DrugBank Accession Number
- DB14122
- Background
Cardamonin (also known as Dihydroxymethoxychalcone), as shown by the increasing number of publications, has received growing attention from the scientific community due to the expectations toward its benefits to human health. Cardamonin's name comes from the fact that it can be found in cardamom spice.
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 270.284
Monoisotopic: 270.089208931 - Chemical Formula
- C16H14O4
- Synonyms
- (E)-1-(2,4-Dihydroxy-6-methoxyphenyl)-3-phenyl-2-propen-1-one
- Alpinetin chalcone
- Cardamomin
- Cardamonin
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
Products
- Drug product information from 10+ global regionsOur datasets provide approved product information including:dosage, form, labeller, route of administration, and marketing period.Access drug product information from over 10 global regions.
- Over the Counter Products
Name Dosage Strength Route Labeller Marketing Start Marketing End Region Image Isaknox White Symphony Multi Laser Spot Cream 0.05 mL/100mL Topical Lg Household & Health Care Ltd. 2010-07-01 2011-07-11 US - Unapproved/Other Products
Name Ingredients Dosage Route Labeller Marketing Start Marketing End Region Image Isaknox White Symphony Multi Laser Spot Dihydroxymethoxychalcone (0.05 mL/100mL) Cream Topical Lg Household & Health Care Ltd. 2010-07-01 2011-07-11 US
Categories
- Drug Categories
- Classification
- Not classified
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- H8KP1OJ8JX
- CAS number
- 19309-14-9
- InChI Key
- NYSZJNUIVUBQMM-BQYQJAHWSA-N
- InChI
- InChI=1S/C16H14O4/c1-20-15-10-12(17)9-14(19)16(15)13(18)8-7-11-5-3-2-4-6-11/h2-10,17,19H,1H3/b8-7+
- IUPAC Name
- (2E)-1-(2,4-dihydroxy-6-methoxyphenyl)-3-phenylprop-2-en-1-one
- SMILES
- COC1=C(C(=O)\C=C\C2=CC=CC=C2)C(O)=CC(O)=C1
References
- General References
- Goncalves LM, Valente IM, Rodrigues JA: An overview on cardamonin. J Med Food. 2014 Jun;17(6):633-40. doi: 10.1089/jmf.2013.0061. Epub 2014 Jan 16. [Article]
- External Links
- Human Metabolome Database
- HMDB0132913
- ChemSpider
- 557026
- BindingDB
- 50185446
- ChEMBL
- CHEMBL378104
- ZINC
- ZINC000004716487
- Wikipedia
- Cardamomin
Clinical Trials
Pharmacoeconomics
- Manufacturers
- Not Available
- Packagers
- Not Available
- Dosage Forms
Form Route Strength Cream Topical 0.05 mL/100mL - Prices
- Not Available
- Patents
- Not Available
Properties
- State
- Not Available
- Experimental Properties
- Not Available
- Predicted Properties
Property Value Source Water Solubility 0.0777 mg/mL ALOGPS logP 3.62 ALOGPS logP 3.78 Chemaxon logS -3.5 ALOGPS pKa (Strongest Acidic) 7.2 Chemaxon pKa (Strongest Basic) -4.9 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 4 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 66.76 Å2 Chemaxon Rotatable Bond Count 4 Chemaxon Refractivity 77.3 m3·mol-1 Chemaxon Polarizability 28.42 Å3 Chemaxon Number of Rings 2 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 splash10-01c0-0950000000-b068b5a528d583525a0d Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS splash10-014i-0490000000-ca6256e7729c92714865 Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS splash10-014r-1950000000-a68d974657c0bf94c940 Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS splash10-0gc0-0900000000-2f72df6fbbf0ce066a7a Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS splash10-0fb9-5920000000-6481035d3742d43aa183 Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS splash10-0fb9-7910000000-592dbb5e713d75740e2b 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]- 180.110243 predictedDarkChem Lite v0.1.0 [M-H]- 160.60136 predictedDeepCCS 1.0 (2019) [M+H]+ 179.890643 predictedDarkChem Lite v0.1.0 [M+H]+ 162.95937 predictedDeepCCS 1.0 (2019) [M+Na]+ 180.902743 predictedDarkChem Lite v0.1.0 [M+Na]+ 169.75012 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2018 22:13 / Updated at June 12, 2020 16:53