Dihydroxymethoxychalcone

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
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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

Products

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Over the Counter Products
NameDosageStrengthRouteLabellerMarketing StartMarketing EndRegionImage
Isaknox White Symphony Multi Laser SpotCream0.05 mL/100mLTopicalLg Household & Health Care Ltd.2010-07-012011-07-11US flag
Unapproved/Other Products
NameIngredientsDosageRouteLabellerMarketing StartMarketing EndRegionImage
Isaknox White Symphony Multi Laser SpotDihydroxymethoxychalcone (0.05 mL/100mL)CreamTopicalLg Household & Health Care Ltd.2010-07-012011-07-11US flag

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
  1. 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]
Human Metabolome Database
HMDB0132913
ChemSpider
557026
BindingDB
50185446
ChEMBL
CHEMBL378104
ZINC
ZINC000004716487
Wikipedia
Cardamomin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount

Pharmacoeconomics

Manufacturers
Not Available
Packagers
Not Available
Dosage Forms
FormRouteStrength
CreamTopical0.05 mL/100mL
Prices
Not Available
Patents
Not Available

Properties

State
Not Available
Experimental Properties
Not Available
Predicted Properties
PropertyValueSource
Water Solubility0.0777 mg/mLALOGPS
logP3.62ALOGPS
logP3.78Chemaxon
logS-3.5ALOGPS
pKa (Strongest Acidic)7.2Chemaxon
pKa (Strongest Basic)-4.9Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count4Chemaxon
Hydrogen Donor Count2Chemaxon
Polar Surface Area66.76 Å2Chemaxon
Rotatable Bond Count4Chemaxon
Refractivity77.3 m3·mol-1Chemaxon
Polarizability28.42 Å3Chemaxon
Number of Rings2Chemaxon
Bioavailability1Chemaxon
Rule of FiveYesChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
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/MSsplash10-01c0-0950000000-b068b5a528d583525a0d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0490000000-ca6256e7729c92714865
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014r-1950000000-a68d974657c0bf94c940
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0gc0-0900000000-2f72df6fbbf0ce066a7a
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0fb9-5920000000-6481035d3742d43aa183
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fb9-7910000000-592dbb5e713d75740e2b
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]-180.110243
predicted
DarkChem Lite v0.1.0
[M-H]-160.60136
predicted
DeepCCS 1.0 (2019)
[M+H]+179.890643
predicted
DarkChem Lite v0.1.0
[M+H]+162.95937
predicted
DeepCCS 1.0 (2019)
[M+Na]+180.902743
predicted
DarkChem Lite v0.1.0
[M+Na]+169.75012
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2018 22:13 / Updated at June 12, 2020 16:53