Rhamnetin

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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Contraindications & Blackbox Warnings
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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

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
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

Clinical Trials
PhaseStatusPurposeConditionsCount

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
PropertyValueSource
Water Solubility0.15 mg/mLALOGPS
logP1.97ALOGPS
logP2.3Chemaxon
logS-3.3ALOGPS
pKa (Strongest Acidic)7.13Chemaxon
pKa (Strongest Basic)-4Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count4Chemaxon
Polar Surface Area116.45 Å2Chemaxon
Rotatable Bond Count2Chemaxon
Refractivity81.34 m3·mol-1Chemaxon
Polarizability30.62 Å3Chemaxon
Number of Rings3Chemaxon
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/MSsplash10-014i-0009000000-c71413dc32fe1817519f
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0009000000-59b3314a3a1c04c96aeb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-014i-0095000000-04c76e190b872ed71887
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-014i-0019000000-98209ae956b839ffc7f1
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-00dr-0390000000-42ec1f47eadee7da2f67
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-059f-0690000000-1187bdc6602e82acaaea
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]-187.1864326
predicted
DarkChem Lite v0.1.0
[M-H]-187.6476326
predicted
DarkChem Lite v0.1.0
[M-H]-187.3546326
predicted
DarkChem Lite v0.1.0
[M-H]-173.87225
predicted
DeepCCS 1.0 (2019)
[M+H]+188.9526326
predicted
DarkChem Lite v0.1.0
[M+H]+189.7026326
predicted
DarkChem Lite v0.1.0
[M+H]+189.6846326
predicted
DarkChem Lite v0.1.0
[M+H]+176.23027
predicted
DeepCCS 1.0 (2019)
[M+Na]+188.6080326
predicted
DarkChem Lite v0.1.0
[M+Na]+188.5856326
predicted
DarkChem Lite v0.1.0
[M+Na]+188.1936326
predicted
DarkChem Lite v0.1.0
[M+Na]+183.3036
predicted
DeepCCS 1.0 (2019)

Drug created at March 17, 2022 03:34 / Updated at March 17, 2022 22:25