Salvinorin A

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

Identification

Generic Name
Salvinorin A
DrugBank Accession Number
DB12327
Background

Salvinorin A has been investigated for the basic science of Pharmaceutical Preparations.

Type
Small Molecule
Groups
Investigational
Structure
Thumb
Weight
Average: 432.469
Monoisotopic: 432.178417862
Chemical Formula
C23H28O8
Synonyms
Not Available

Pharmacology

Indication

Not Available

Pharmacology
Reduce drug development failure rates
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Contraindications & Blackbox Warnings
Contraindications
Avoid life-threatening adverse drug events
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Avoid life-threatening adverse drug events & improve clinical decision support.
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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
Adverseeffects
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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
1,2-BenzodiazepineThe risk or severity of adverse effects can be increased when Salvinorin A is combined with 1,2-Benzodiazepine.
AcetazolamideThe risk or severity of adverse effects can be increased when Acetazolamide is combined with Salvinorin A.
AcetophenazineThe risk or severity of adverse effects can be increased when Acetophenazine is combined with Salvinorin A.
AclidiniumSalvinorin A may increase the central nervous system depressant (CNS depressant) activities of Aclidinium.
AgomelatineThe risk or severity of adverse effects can be increased when Agomelatine is combined with Salvinorin A.
AlfentanilThe risk or severity of adverse effects can be increased when Alfentanil is combined with Salvinorin A.
AlimemazineThe risk or severity of adverse effects can be increased when Alimemazine is combined with Salvinorin A.
AlmotriptanThe risk or severity of adverse effects can be increased when Almotriptan is combined with Salvinorin A.
AlosetronThe risk or severity of adverse effects can be increased when Alosetron is combined with Salvinorin A.
AlprazolamThe risk or severity of adverse effects can be increased when Alprazolam is combined with Salvinorin A.
Interactions
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Food Interactions
Not Available

Categories

Drug Categories
Chemical TaxonomyProvided by Classyfire
Description
This compound belongs to the class of organic compounds known as diterpene lactones. These are diterpenoids containing a lactone moiety.
Kingdom
Organic compounds
Super Class
Lipids and lipid-like molecules
Class
Prenol lipids
Sub Class
Terpene lactones
Direct Parent
Diterpene lactones
Alternative Parents
Colensane and clerodane diterpenoids / Naphthopyrans / Naphthalenes / Tricarboxylic acids and derivatives / Delta valerolactones / Alpha-acyloxy ketones / Pyrans / Oxanes / Methyl esters / Heteroaromatic compounds
show 5 more
Substituents
Alpha-acyloxy ketone / Aromatic heteropolycyclic compound / Carbonyl group / Carboxylic acid derivative / Carboxylic acid ester / Clerodane diterpenoid / Delta valerolactone / Delta_valerolactone / Diterpene lactone / Diterpenoid
show 16 more
Molecular Framework
Aromatic heteropolycyclic compounds
External Descriptors
organic heterotricyclic compound, organooxygen compound (CHEBI:67900)
Affected organisms
Not Available

Chemical Identifiers

UNII
T56W91NG6J
CAS number
83729-01-5
InChI Key
OBSYBRPAKCASQB-AGQYDFLVSA-N
InChI
InChI=1S/C23H28O8/c1-12(24)30-16-9-15(20(26)28-4)22(2)7-5-14-21(27)31-17(13-6-8-29-11-13)10-23(14,3)19(22)18(16)25/h6,8,11,14-17,19H,5,7,9-10H2,1-4H3/t14-,15-,16-,17-,19-,22-,23-/m0/s1
IUPAC Name
methyl (2S,4aR,6aR,7R,9S,10aS,10bR)-9-(acetyloxy)-2-(furan-3-yl)-6a,10b-dimethyl-4,10-dioxo-dodecahydro-1H-naphtho[2,1-c]pyran-7-carboxylate
SMILES
COC(=O)[C@@H]1C[C@H](OC(C)=O)C(=O)[C@H]2[C@@]1(C)CC[C@H]1C(=O)O[C@@H](C[C@]21C)C1=COC=C1

References

General References
Not Available
PubChem Compound
128563
PubChem Substance
347828589
ChemSpider
113947
BindingDB
50159165
ChEBI
67900
ChEMBL
CHEMBL445332
ZINC
ZINC000013607514
Wikipedia
Salvinorin_A

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Active Not RecruitingBasic ScienceHealthy Subjects (HS)1
1CompletedBasic ScienceHealthy Subjects (HS)1
1, 2CompletedOtherEffect of Drugs1
Not AvailableCompletedNot AvailablePharmaceutical Preparations1

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 Solubility0.08 mg/mLALOGPS
logP2.48ALOGPS
logP2.39ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)16.45ChemAxon
pKa (Strongest Basic)-2.9ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area109.11 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity106 m3·mol-1ChemAxon
Polarizability44.17 Å3ChemAxon
Number of Rings4ChemAxon
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/MSNot Available
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSNot Available
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSNot Available
MS/MS Spectrum - Linear Ion Trap , negativeLC-MS/MSsplash10-00di-0009000000-78482ff25bbd387b7177
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-02t9-0019400000-eea703d2737b28cfd145
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-05ar-0149600000-4457d46f99edb6f6570f
MS/MS Spectrum - Linear Ion Trap , positiveLC-MS/MSsplash10-00di-0019000000-619e859d6cbd47385c1f

Drug created on October 20, 2016 21:57 / Updated on June 12, 2020 16:53