Peruvoside

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 rates
Build, train, & validate machine-learning models
with evidence-based and structured datasets.
See how
Build, train, & validate predictive machine-learning models with structured datasets.
See how
Contraindications & Blackbox Warnings
Prevent Adverse Drug Events Today
Tap into our Clinical API for life-saving information on contraindications & blackbox warnings, population restrictions, harmful risks, & more.
Learn more
Avoid life-threatening adverse drug events with our Clinical API
Learn more
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 outcomes
With structured adverse effects data, including: blackbox warnings, adverse reactions, warning & precautions, & incidence rates. View sample adverse effects data in our new Data Library!
See the data
Improve decision support & research outcomes with our structured adverse effects data.
See a data sample
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.
DrugInteraction
AcebutololAcebutolol may increase the bradycardic activities of Peruvoside.
Acetylsalicylic acidThe serum concentration of Peruvoside can be decreased when it is combined with Acetylsalicylic acid.
AlfacalcidolThe risk or severity of ventricular arrhythmias and Cardiac Arrhythmia can be increased when Alfacalcidol is combined with Peruvoside.
AmikacinThe risk or severity of adverse effects can be increased when Amikacin is combined with Peruvoside.
AmilorideAmiloride 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
ChemSpider
16498835
ChEBI
135825
ChEMBL
CHEMBL1075790
Wikipedia
Peruvoside

Clinical Trials

Clinical Trials
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 Solubility0.0791 mg/mLALOGPS
logP1.34ALOGPS
logP2.02Chemaxon
logS-3.8ALOGPS
pKa (Strongest Acidic)7.18Chemaxon
pKa (Strongest Basic)0.27Chemaxon
Physiological Charge0Chemaxon
Hydrogen Acceptor Count8Chemaxon
Hydrogen Donor Count3Chemaxon
Polar Surface Area131.75 Å2Chemaxon
Rotatable Bond Count5Chemaxon
Refractivity140.05 m3·mol-1Chemaxon
Polarizability58.9 Å3Chemaxon
Number of Rings6Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
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/MSsplash10-001j-0000090000-a9dfd0e25b07b6727804
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-00kb-0002190000-f4d28b4cd656c44852ca
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-000x-1015980000-3b49caa1ddf6b6fe75cb
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0uxs-2000290000-dee1766c46943f943e7f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-01dj-2001960000-568f23cbcfb2f761a687
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-01p2-3169630000-d4ae2372c04d744cd299
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-241.3181468
predicted
DarkChem Lite v0.1.0
[M-H]-224.44049
predicted
DeepCCS 1.0 (2019)
[M+H]+242.5301468
predicted
DarkChem Lite v0.1.0
[M+H]+226.33589
predicted
DeepCCS 1.0 (2019)
[M+Na]+240.9731468
predicted
DarkChem Lite v0.1.0
[M+Na]+232.3092
predicted
DeepCCS 1.0 (2019)

Drug created at June 23, 2017 20:48 / Updated at June 12, 2020 16:53