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IdentificationPharmacologyInteractionsReferencesTrialsEconomicsPropertiesSpectraTaxonomyOleandrin
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Name
- Oleandrin
- Accession Number
- DB12843
- Type
- Small Molecule
- Groups
- Experimental, Investigational
- Description
Oleandrin has been used in trials studying the treatment of Lung Cancer and Chemotherapeutic Agent Toxicity.
- Structure
Structure for Oleandrin (DB12843)
- Synonyms
- Anvirzel
- Oleandrina
- External IDs
- NSC-692219
- Categories
- UNII
- II95UDU7I4
- CAS number
- 465-16-7
- Weight
- Average: 576.727
Monoisotopic: 576.329833126 - Chemical Formula
- C32H48O9
- InChI Key
- JLPDBLFIVFSOCC-XYXFTTADSA-N
- InChI
- InChI=1S/C32H48O9/c1-17-29(35)24(37-5)14-27(39-17)41-21-8-10-30(3)20(13-21)6-7-23-22(30)9-11-31(4)28(19-12-26(34)38-16-19)25(40-18(2)33)15-32(23,31)36/h12,17,20-25,27-29,35-36H,6-11,13-16H2,1-5H3/t17-,20+,21-,22-,23+,24-,25-,27-,28-,29-,30-,31+,32-/m0/s1
- IUPAC Name
- (1S,2S,5S,7R,10R,11S,13S,14R,15R)-11-hydroxy-5-{[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-2,15-dimethyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecan-13-yl acetate
- SMILES
- CO[C@H]1C[C@H](O[C@H]2CC[C@@]3(C)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H]([C@H](C[C@]43O)OC(C)=O)C3=CC(=O)OC3)C2)O[C@@H](C)[C@@H]1O
Pharmacology
- Indication
- Not Available
- 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
- Toxicity
- Not Available
- Affected organisms
- 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.
Drug Interaction Unlock Additional Data1alpha-Hydroxyvitamin D5 The risk or severity of ventricular arrhythmias and Cardiac Arrhythmia can be increased when 1alpha-Hydroxyvitamin D5 is combined with Oleandrin. 1alpha,24S-Dihydroxyvitamin D2 The risk or severity of ventricular arrhythmias and Cardiac Arrhythmia can be increased when 1alpha,24S-Dihydroxyvitamin D2 is combined with Oleandrin. 3,5-Diiodotyrosine The serum concentration of Oleandrin can be increased when it is combined with 3,5-Diiodotyrosine. 6-Deoxyerythronolide B The serum concentration of Oleandrin can be increased when it is combined with 6-Deoxyerythronolide B. Acebutolol Acebutolol may increase the bradycardic activities of Oleandrin. Acetylsalicylic acid The serum concentration of Oleandrin can be decreased when it is combined with Acetylsalicylic acid. Agmatine The serum concentration of Oleandrin can be increased when it is combined with Agmatine. Alcuronium The risk or severity of Cardiac Arrhythmia can be increased when Alcuronium is combined with Oleandrin. Aldoxorubicin Oleandrin may decrease the cardiotoxic activities of Aldoxorubicin. Alfacalcidol The risk or severity of ventricular arrhythmias and Cardiac Arrhythmia can be increased when Alfacalcidol is combined with Oleandrin. Additional Data Available- Extended DescriptionExtended Description
Extended description of the mechanism of action and particular properties of each drug interaction.
Learn more - Severity
- Evidence Level
- ActionAction
An effect category for each drug interaction. Know how this interaction affects the subject drug.
Learn more
- Food Interactions
- Not Available
References
- General References
- Not Available
- External Links
- PubChem Compound
- 11541511
- PubChem Substance
- 347829006
- ChemSpider
- 9716290
- ChEBI
- 59030
- ChEMBL
- CHEMBL1075789
- ZINC
- ZINC000008214621
- Wikipedia
- Oleandrin
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 1 Withdrawn Treatment Chemotherapeutic Agent Toxicity / Lung Cancers 1
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
Property Value Source Water Solubility 0.00299 mg/mL ALOGPS logP 2.1 ALOGPS logP 2.95 ChemAxon logS -5.3 ALOGPS pKa (Strongest Acidic) 6.82 ChemAxon pKa (Strongest Basic) -3.2 ChemAxon Physiological Charge -1 ChemAxon Hydrogen Acceptor Count 7 ChemAxon Hydrogen Donor Count 2 ChemAxon Polar Surface Area 120.75 Å2 ChemAxon Rotatable Bond Count 6 ChemAxon Refractivity 148.45 m3·mol-1 ChemAxon Polarizability 63.2 Å3 ChemAxon Number of Rings 6 ChemAxon Bioavailability 1 ChemAxon Rule of Five No ChemAxon Ghose Filter No ChemAxon Veber's Rule No ChemAxon MDDR-like Rule Yes 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 Not Available Predicted MS/MS Spectrum - 20V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Positive (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 10V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 20V, Negative (Annotated) Predicted LC-MS/MS Not Available Predicted MS/MS Spectrum - 40V, Negative (Annotated) Predicted LC-MS/MS Not Available
Taxonomy
- Description
- This compound belongs to the class of organic compounds known as cardenolide glycosides and derivatives. These are compounds containing a carbohydrate glycosidically bound to the cardenolide moiety.
- Kingdom
- Organic compounds
- Super Class
- Lipids and lipid-like molecules
- Class
- Steroids and steroid derivatives
- Sub Class
- Steroid lactones
- Direct Parent
- Cardenolide glycosides and derivatives
- Alternative Parents
- Steroidal glycosides / Steroid esters / 14-hydroxysteroids / Hexoses / O-glycosyl compounds / Oxanes / Butenolides / Dicarboxylic acids and derivatives / Tertiary alcohols / Enoate esters show 9 more
- Substituents
- 14-hydroxysteroid / 2-furanone / Acetal / Alcohol / Aliphatic heteropolycyclic compound / Alpha,beta-unsaturated carboxylic ester / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Cardanolide-glycoside show 23 more
- Molecular Framework
- Aliphatic heteropolycyclic compounds
- External Descriptors
- steroid ester, steroid saponin, 14beta-hydroxy steroid, cardenolide glycoside (CHEBI:59030)
Drug created on October 20, 2016 18:39 / Updated on June 12, 2020 10:53
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