This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Acteoside
- DrugBank Accession Number
- DB12996
- Background
Acteoside is under investigation in clinical trial NCT02662283 (Validity and Security of Reh-acteoside Therapy for Patients of IgA Nephropathy).
- Type
- Small Molecule
- Groups
- Investigational
- Structure
Structure for Acteoside (DB12996)
- Weight
- Average: 624.5871
Monoisotopic: 624.205420482 - Chemical Formula
- C29H36O15
- Synonyms
- Not Available
- External IDs
- TJC-160
Pharmacology
- Indication
Not Available
Reduce drug development failure ratesBuild, train, & validate machine-learning modelswith evidence-based and structured datasets.Build, train, & validate predictive machine-learning models with structured datasets.- Contraindications & Blackbox Warnings
Avoid life-threatening adverse drug eventsImprove clinical decision support with information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events & improve clinical decision support.- 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
Improve decision support & research outcomesWith structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates.Improve decision support & research outcomes with our structured adverse effects data.- 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.
Drug Interaction Integrate drug-drug
interactions in your softwareAbatacept The risk or severity of adverse effects can be increased when Abatacept is combined with Acteoside. Adalimumab The risk or severity of adverse effects can be increased when Adalimumab is combined with Acteoside. Adenovirus type 7 vaccine live The risk or severity of infection can be increased when Adenovirus type 7 vaccine live is combined with Acteoside. Aldesleukin The risk or severity of adverse effects can be increased when Aldesleukin is combined with Acteoside. Alefacept The risk or severity of adverse effects can be increased when Alefacept is combined with Acteoside. Alemtuzumab The risk or severity of adverse effects can be increased when Alemtuzumab is combined with Acteoside. Allogeneic processed thymus tissue The therapeutic efficacy of Allogeneic processed thymus tissue can be decreased when used in combination with Acteoside. Altretamine The risk or severity of adverse effects can be increased when Altretamine is combined with Acteoside. Ambroxol The risk or severity of methemoglobinemia can be increased when Acteoside is combined with Ambroxol. Amsacrine The risk or severity of adverse effects can be increased when Amsacrine is combined with Acteoside. 
Identify potential medication risksEasily compare up to 40 drugs with our drug interaction checker.Get severity rating, description, and management advice.Learn more - Food Interactions
- Not Available
Categories
- Drug Categories
- Anti-Infective Agents
- Antineoplastic Agents
- Antineoplastic Agents, Phytogenic
- Antioxidants
- Benzene Derivatives
- Biological Factors
- Carbohydrates
- Chelating Agents
- Compounds used in a research, industrial, or household setting
- Glycosides
- Immunologic Factors
- Immunosuppressive Agents
- Phenols
- Protective Agents
- Sequestering Agents
- Verbenaceae
- Chemical TaxonomyProvided by Classyfire
- Description
- This compound belongs to the class of organic compounds known as coumaric acids and derivatives. These are aromatic compounds containing Aromatic compounds containing a cinnamic acid moiety (or a derivative thereof) hydroxylated at the C2 (ortho-), C3 (meta-), or C4 (para-) carbon atom of the benzene ring.
- Kingdom
- Organic compounds
- Super Class
- Phenylpropanoids and polyketides
- Class
- Cinnamic acids and derivatives
- Sub Class
- Hydroxycinnamic acids and derivatives
- Direct Parent
- Coumaric acids and derivatives
- Alternative Parents
- Cinnamic acid esters / O-glycosyl compounds / Disaccharides / Tyrosols and derivatives / Styrenes / Catechols / 1-hydroxy-2-unsubstituted benzenoids / 1-hydroxy-4-unsubstituted benzenoids / Fatty acid esters / Oxanes show 10 more
- Substituents
- 1-hydroxy-2-unsubstituted benzenoid / 1-hydroxy-4-unsubstituted benzenoid / Acetal / Alcohol / Alpha,beta-unsaturated carboxylic ester / Aromatic heteromonocyclic compound / Benzenoid / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester show 24 more
- Molecular Framework
- Aromatic heteromonocyclic compounds
- External Descriptors
- hydroxycinnamic acid (CHEBI:9953)
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- 3TGX09BD5B
- CAS number
- 61276-17-3
- InChI Key
- FBSKJMQYURKNSU-ZLSOWSIRSA-N
- InChI
- InChI=1S/C29H36O15/c1-13-22(36)23(37)24(38)29(41-13)44-27-25(39)28(40-9-8-15-3-6-17(32)19(34)11-15)42-20(12-30)26(27)43-21(35)7-4-14-2-5-16(31)18(33)10-14/h2-7,10-11,13,20,22-34,36-39H,8-9,12H2,1H3/b7-4+/t13-,20+,22-,23+,24+,25+,26+,27+,28+,29-/m0/s1
- IUPAC Name
- (2R,3R,4R,5R,6R)-6-[2-(3,4-dihydroxyphenyl)ethoxy]-5-hydroxy-2-(hydroxymethyl)-4-{[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy}oxan-3-yl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
- SMILES
- C[C@@H]1O[C@@H](O[C@@H]2[C@@H](O)[C@H](OCCC3=CC(O)=C(O)C=C3)O[C@H](CO)[C@H]2OC(=O)\C=C\C2=CC(O)=C(O)C=C2)[C@H](O)[C@H](O)[C@H]1O
References
- General References
- Not Available
- External Links
- KEGG Compound
- C10501
- PubChem Compound
- 5281800
- PubChem Substance
- 347829133
- ChemSpider
- 4445112
- BindingDB
- 50241867
- ChEBI
- 132853
- ChEMBL
- CHEMBL444478
- ZINC
- ZINC000008234351
- Wikipedia
- Verbascoside
Clinical Trials
- Clinical Trials
Phase Status Purpose Conditions Count 2, 3 Unknown Status Treatment Immunoglobulin A Nephropathy 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 0.966 mg/mL ALOGPS logP 1.09 ALOGPS logP 0.82 Chemaxon logS -2.8 ALOGPS pKa (Strongest Acidic) 9.01 Chemaxon pKa (Strongest Basic) -3.6 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 14 Chemaxon Hydrogen Donor Count 9 Chemaxon Polar Surface Area 245.29 Å2 Chemaxon Rotatable Bond Count 11 Chemaxon Refractivity 148.4 m3·mol-1 Chemaxon Polarizability 60.77 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 0 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
Drug created at October 21, 2016 01:53 / Updated at June 12, 2020 16:53