NAV

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
3D
Similar Structures
Weight
Average: 432.469
Monoisotopic: 432.178417862
Chemical Formula
C23H28O8
Synonyms
Not Available
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Pharmacology

Indication

Not Available

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Contraindications & Blackbox Warnings
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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
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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
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interactions in your software
1,2-BenzodiazepineThe risk or severity of CNS depression can be increased when Salvinorin A is combined with 1,2-Benzodiazepine.
AcetazolamideThe risk or severity of CNS depression can be increased when Acetazolamide is combined with Salvinorin A.
AcetophenazineThe risk or severity of CNS depression can be increased when Acetophenazine is combined with Salvinorin A.
AgomelatineThe risk or severity of CNS depression can be increased when Agomelatine is combined with Salvinorin A.
AlfentanilThe risk or severity of CNS depression can be increased when Alfentanil is combined with Salvinorin A.
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
1CompletedBasic ScienceHealthy Volunteers (HV)1
1, 2CompletedOtherEffect of Drugs1
0CompletedBasic ScienceHealthy Volunteers (HV)1
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
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
Predicted MS/MS Spectrum - 10V, Positive (Annotated)Predicted LC-MS/MSsplash10-03k9-0009100000-f4ea42a85e61b3dc9dc3
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9001300000-0c4c7f8a94b96b1b7ec9
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0a4i-9007000000-268b8f13f4875261e7eb
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-001l-0009100000-1277eb10e36421c19d9f
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-06rx-6009300000-aa37e64d8d7c5990c674
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-0002-7439300000-72642eddbdfda0f30b5e
Predicted 1H NMR Spectrum1D NMRNot Applicable
Predicted 13C NMR Spectrum1D NMRNot Applicable
Chromatographic Properties
Collision Cross Sections (CCS)
AdductCCS Value (Å2)Source typeSource
[M-H]-215.0874817
predicted
DarkChem Lite v0.1.0
[M-H]-220.9742817
predicted
DarkChem Lite v0.1.0
[M-H]-203.76103
predicted
DeepCCS 1.0 (2019)
[M+H]+214.6554817
predicted
DarkChem Lite v0.1.0
[M+H]+220.5298817
predicted
DarkChem Lite v0.1.0
[M+H]+205.62578
predicted
DeepCCS 1.0 (2019)
[M+Na]+215.3384817
predicted
DarkChem Lite v0.1.0
[M+Na]+220.8222817
predicted
DarkChem Lite v0.1.0
[M+Na]+211.23161
predicted
DeepCCS 1.0 (2019)

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