Dihydromyricetin

This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.

Identification

Generic Name
Dihydromyricetin
DrugBank Accession Number
DB15645
Background

Dihydromyricetin is under investigation in clinical trial NCT03606694 (Effect of Dihydromirycetin on Glycemic Control, Insulin Sensitivity and Insulin Secretion in Type 2 Diabetes Mellitus).

Type
Small Molecule
Groups
Investigational
Structure
Weight
Average: 320.251
Monoisotopic: 320.05321736
Chemical Formula
C15H12O8
Synonyms
  • (+)-ampelopsin
  • (+)-dihydromyricetin
  • Ampelopsin
  • Ampeloptin
  • Telocapil

Pharmacology

Indication

Not Available

Reduce drug development failure rates
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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
KD8QND6427
CAS number
27200-12-0
InChI Key
KJXSIXMJHKAJOD-LSDHHAIUSA-N
InChI
InChI=1S/C15H12O8/c16-6-3-7(17)11-10(4-6)23-15(14(22)13(11)21)5-1-8(18)12(20)9(19)2-5/h1-4,14-20,22H/t14-,15+/m0/s1
IUPAC Name
(2R,3R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-1-benzopyran-4-one
SMILES
O[C@@H]1[C@H](OC2=C(C(O)=CC(O)=C2)C1=O)C1=CC(O)=C(O)C(O)=C1

References

General References
Not Available
KEGG Compound
C02906
ChemSpider
141906
BindingDB
212434
ChEBI
28429
ChEMBL
CHEMBL3348861
ZINC
ZINC000100037633
Wikipedia
Ampelopsin

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
2Active Not RecruitingTreatmentType 2 Diabetes Mellitus1
1Not Yet RecruitingTreatmentAlcohol Related Disorders1

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 Solubility1.2 mg/mLALOGPS
logP0.89ALOGPS
logP1.51Chemaxon
logS-2.4ALOGPS
pKa (Strongest Acidic)7.72Chemaxon
pKa (Strongest Basic)-4Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count6Chemaxon
Polar Surface Area147.68 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity76.59 m3·mol-1Chemaxon
Polarizability29.2 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterYesChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleNoChemaxon
Predicted ADMET Features
Not Available

Spectra

Mass Spec (NIST)
Not Available
Spectra
SpectrumSpectrum TypeSplash Key
GC-MS Spectrum - GC-MS (6 TMS)GC-MSsplash10-0a4i-1675900000-481d5adf1ae2f690cd64
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-0fk9-0009000000-880b6f35c21582255b1d
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uxr-0009000000-68eae454b2e59c47cb21
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0uk9-0439000000-be06f3d08f4b7ac6dad1
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0901000000-54ee0268f2b57ed7c507
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0h2o-1960000000-d54d8c71b2856c1757e8
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-0hki-0940000000-fea899a0d66c381e7d98
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]-186.9595564
predicted
DarkChem Lite v0.1.0
[M-H]-187.1635564
predicted
DarkChem Lite v0.1.0
[M-H]-172.09468
predicted
DeepCCS 1.0 (2019)
[M+H]+190.3345564
predicted
DarkChem Lite v0.1.0
[M+H]+188.5811564
predicted
DarkChem Lite v0.1.0
[M+H]+174.48413
predicted
DeepCCS 1.0 (2019)
[M+Na]+188.1295564
predicted
DarkChem Lite v0.1.0
[M+Na]+187.4357564
predicted
DarkChem Lite v0.1.0
[M+Na]+180.71432
predicted
DeepCCS 1.0 (2019)

Drug created at March 23, 2020 20:14 / Updated at June 12, 2020 16:53