NAV

Morin

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

Identification

Generic Name
Morin
DrugBank Accession Number
DB16770
Background

Not Available

Type
Small Molecule
Groups
Experimental
Structure
3D
Similar Structures
Weight
Average: 302.238
Monoisotopic: 302.042652662
Chemical Formula
C15H10O7
Synonyms
  • 2-(2,4-Dihydroxyphenyl)-3,5,7-trihydroxy-4h-1-benzopyran-4-one
  • 2',3,4',5,7-Pentahydroxyflavone
  • Al-Morin
  • Aurantica
  • C.I. Natural yellow 8
  • Calico Yellow
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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 Browse all" title="About SNP Mediated Effects/ADRs" id="snp-actions-info" class="drug-info-popup" href="javascript:void(0);">
Not Available

Interactions

Drug Interactions Learn More" title="About Drug Interactions" id="structured-interactions-info" class="drug-info-popup" href="javascript:void(0);">
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
8NFQ3F76WR
CAS number
480-16-0
InChI Key
YXOLAZRVSSWPPT-UHFFFAOYSA-N
InChI
InChI=1S/C15H10O7/c16-6-1-2-8(9(18)3-6)15-14(21)13(20)12-10(19)4-7(17)5-11(12)22-15/h1-5,16-19,21H
IUPAC Name
2-(2,4-dihydroxyphenyl)-3,5,7-trihydroxy-4H-chromen-4-one
SMILES
OC1=CC=C(C(O)=C1)C1=C(O)C(=O)C2=C(O)C=C(O)C=C2O1

References

General References
Not Available
Human Metabolome Database
HMDB0030796
KEGG Compound
C10105
ChemSpider
4444989
BindingDB
26658
ChEBI
75092
ChEMBL
CHEMBL28626
ZINC
ZINC000003881558
PDBe Ligand
MRI
Wikipedia
Morin
PDB Entries
5auy / 6ae3 / 6tt8 / 7e4b / 8a0p

Clinical Trials

Clinical Trials Learn More" title="About Clinical Trials" id="clinical-trials-info" class="drug-info-popup" href="javascript:void(0);">
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 Solubility0.305 mg/mLALOGPS
logP2.23ALOGPS
logP2.16Chemaxon
logS-3ALOGPS
pKa (Strongest Acidic)6.37Chemaxon
pKa (Strongest Basic)-4.1Chemaxon
Physiological Charge-2Chemaxon
Hydrogen Acceptor Count7Chemaxon
Hydrogen Donor Count5Chemaxon
Polar Surface Area127.45 Å2Chemaxon
Rotatable Bond Count1Chemaxon
Refractivity76.86 m3·mol-1Chemaxon
Polarizability28.37 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/MSsplash10-0udi-0009000000-0d20e47f2cf612ef49e5
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-0udi-0009000000-83c81ff44c517fb1a707
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-0009000000-c14d559a86b217084de7
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0h90-0590000000-a68b69a1b85c942c89a8
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0zn9-0094000000-a6269a5843244b736145
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-059j-0950000000-0953295b3cb0400b3aa8
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]-171.6055845
predicted
DarkChem Lite v0.1.0
[M-H]-179.2102845
predicted
DarkChem Lite v0.1.0
[M-H]-171.7346845
predicted
DarkChem Lite v0.1.0
[M-H]-167.05688
predicted
DeepCCS 1.0 (2019)
[M+H]+171.8665845
predicted
DarkChem Lite v0.1.0
[M+H]+181.8712845
predicted
DarkChem Lite v0.1.0
[M+H]+172.1684845
predicted
DarkChem Lite v0.1.0
[M+H]+169.41487
predicted
DeepCCS 1.0 (2019)
[M+Na]+171.3232845
predicted
DarkChem Lite v0.1.0
[M+Na]+181.2852845
predicted
DarkChem Lite v0.1.0
[M+Na]+171.4831845
predicted
DarkChem Lite v0.1.0
[M+Na]+175.80032
predicted
DeepCCS 1.0 (2019)

Drug created at March 17, 2022 01:37 / Updated at March 17, 2022 22:25