Peruvoside
Star0
This drug entry is a stub and has not been fully annotated. It is scheduled to be annotated soon.
Identification
- Generic Name
- Peruvoside
- DrugBank Accession Number
- DB13756
- Background
Not Available
- Type
- Small Molecule
- Groups
- Experimental
- Structure
- Weight
- Average: 548.673
Monoisotopic: 548.298532997 - Chemical Formula
- C30H44O9
- Synonyms
- Not Available
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
- Prevent Adverse Drug Events TodayTap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.Avoid life-threatening adverse drug events with our Clinical API
- 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. View sample adverse effects data in our new Data Library!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 softwareAcebutolol Acebutolol may increase the bradycardic activities of Peruvoside. Acetylsalicylic acid The serum concentration of Peruvoside can be decreased when it is combined with Acetylsalicylic acid. Alfacalcidol The risk or severity of ventricular arrhythmias and Cardiac Arrhythmia can be increased when Alfacalcidol is combined with Peruvoside. Amikacin The risk or severity of adverse effects can be increased when Amikacin is combined with Peruvoside. Amiloride Amiloride may decrease the excretion rate of Peruvoside which could result in a higher serum level. - Food Interactions
- Not Available
Categories
- ATC Codes
- C01AX02 — Peruvoside
- Drug Categories
- Chemical TaxonomyProvided by Classyfire
- 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 / 19-oxosteroids / 14-hydroxysteroids / Hexoses / O-glycosyl compounds / Oxanes / Butenolides / Tertiary alcohols / Enoate esters / Secondary alcohols show 9 more
- Substituents
- 14-hydroxysteroid / 19-oxosteroid / 2-furanone / Acetal / Alcohol / Aldehyde / Aliphatic heteropolycyclic compound / Alpha,beta-unsaturated carboxylic ester / Carbonyl group / Carboxylic acid derivative show 25 more
- Molecular Framework
- Aliphatic heteropolycyclic compounds
- External Descriptors
- Not Available
- Affected organisms
- Not Available
Chemical Identifiers
- UNII
- CT36KGC6A6
- CAS number
- 1182-87-2
- InChI Key
- PMTSPAGBAFCORP-HBUONDEYSA-N
- InChI
- InChI=1S/C30H44O9/c1-16-24(33)26(36-3)25(34)27(38-16)39-19-6-10-29(15-31)18(13-19)4-5-22-21(29)7-9-28(2)20(8-11-30(22,28)35)17-12-23(32)37-14-17/h12,15-16,18-22,24-27,33-35H,4-11,13-14H2,1-3H3/t16-,18+,19-,20+,21-,22+,24-,25-,26+,27-,28+,29+,30-/m0/s1
- IUPAC Name
- (1S,2R,5S,7R,10R,11S,14R,15R)-5-{[(2R,3S,4R,5S,6S)-3,5-dihydroxy-4-methoxy-6-methyloxan-2-yl]oxy}-11-hydroxy-15-methyl-14-(5-oxo-2,5-dihydrofuran-3-yl)tetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadecane-2-carbaldehyde
- SMILES
- CO[C@@H]1[C@@H](O)[C@H](C)O[C@@H](O[C@H]2CC[C@@]3(C=O)[C@H](CC[C@@H]4[C@@H]3CC[C@]3(C)[C@H](CC[C@]43O)C3=CC(=O)OC3)C2)[C@H]1O
References
- General References
- Not Available
- External Links
- ChemSpider
- 16498835
- ChEBI
- 135825
- ChEMBL
- CHEMBL1075790
- Wikipedia
- Peruvoside
Clinical Trials
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 0.0791 mg/mL ALOGPS logP 1.34 ALOGPS logP 2.02 Chemaxon logS -3.8 ALOGPS pKa (Strongest Acidic) 7.18 Chemaxon pKa (Strongest Basic) 0.27 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 8 Chemaxon Hydrogen Donor Count 3 Chemaxon Polar Surface Area 131.75 Å2 Chemaxon Rotatable Bond Count 5 Chemaxon Refractivity 140.05 m3·mol-1 Chemaxon Polarizability 58.9 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 No Chemaxon - Predicted ADMET Features
- Not Available
Spectra
- Mass Spec (NIST)
- Not Available
- Spectra
- Chromatographic Properties
Collision Cross Sections (CCS)
Adduct CCS Value (Å2) Source type Source [M-H]- 241.3181468 predictedDarkChem Lite v0.1.0 [M-H]- 224.44049 predictedDeepCCS 1.0 (2019) [M+H]+ 242.5301468 predictedDarkChem Lite v0.1.0 [M+H]+ 226.33589 predictedDeepCCS 1.0 (2019) [M+Na]+ 240.9731468 predictedDarkChem Lite v0.1.0 [M+Na]+ 232.3092 predictedDeepCCS 1.0 (2019)
Drug created at June 23, 2017 20:48 / Updated at June 12, 2020 16:53