NAV

Salvianolic acid A

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

Identification

Generic Name
Salvianolic acid A
DrugBank Accession Number
DB15246
Background

Salvianolic acid A is under investigation in clinical trial NCT03908242 (Phase I Study of Continuous Administration of Salvianolic Acid A Tablet).

Type
Small Molecule
Groups
Investigational
Structure
3D
Similar Structures
Weight
Average: 494.452
Monoisotopic: 494.121296908
Chemical Formula
C26H22O10
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.
Not Available
Food Interactions
Not Available

Categories

Drug Categories
Classification
Not classified
Affected organisms
Not Available

Chemical Identifiers

UNII
51622542XO
CAS number
96574-01-5
InChI Key
YMGFTDKNIWPMGF-UCPJVGPRSA-N
InChI
InChI=1S/C26H22O10/c27-18-7-2-14(11-21(18)30)1-6-17-16(4-9-20(29)25(17)33)5-10-24(32)36-23(26(34)35)13-15-3-8-19(28)22(31)12-15/h1-12,23,27-31,33H,13H2,(H,34,35)/b6-1+,10-5+/t23-/m1/s1
IUPAC Name
(2R)-3-(3,4-dihydroxyphenyl)-2-{[(2E)-3-{2-[(1E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl}prop-2-enoyl]oxy}propanoic acid
SMILES
OC(=O)[C@@H](CC1=CC(O)=C(O)C=C1)OC(=O)\C=C\C1=C(/C=C/C2=CC(O)=C(O)C=C2)C(O)=C(O)C=C1

References

General References
  1. Murakami S, Kijima H, Isobe Y, Muramatsu M, Aihara H, Otomo S, Li LN, Ai CB: Effect of salvianolic acid A, a depside from roots of Salvia miltiorrhiza, on gastric H+,K(+)-ATPase. Planta Med. 1990 Aug;56(4):360-3. doi: 10.1055/s-2006-960982. [Article]
KEGG Compound
C10492
ChemSpider
4445105
BindingDB
50414250
ChEBI
9017
ChEMBL
CHEMBL457077
ZINC
ZINC000004098737

Clinical Trials

Clinical Trials
PhaseStatusPurposeConditionsCount
1Unknown StatusTreatmentDiabetes1
1Unknown StatusTreatmentHealthy Volunteers (HV)1
1Unknown StatusTreatmentNeuropathy of Diabetes1

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 Solubility0.00867 mg/mLALOGPS
logP3.58ALOGPS
logP4.74Chemaxon
logS-4.8ALOGPS
pKa (Strongest Acidic)3.14Chemaxon
pKa (Strongest Basic)-6.3Chemaxon
Physiological Charge-1Chemaxon
Hydrogen Acceptor Count9Chemaxon
Hydrogen Donor Count7Chemaxon
Polar Surface Area184.98 Å2Chemaxon
Rotatable Bond Count9Chemaxon
Refractivity130.37 m3·mol-1Chemaxon
Polarizability48.67 Å3Chemaxon
Number of Rings3Chemaxon
Bioavailability1Chemaxon
Rule of FiveNoChemaxon
Ghose FilterNoChemaxon
Veber's RuleNoChemaxon
MDDR-like RuleYesChemaxon
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/MSsplash10-0002-0210900000-2ba36870580f6207fc8a
Predicted MS/MS Spectrum - 10V, Negative (Annotated)Predicted LC-MS/MSsplash10-03dj-0379300000-dc75caa3eb4bd4b6e838
Predicted MS/MS Spectrum - 20V, Negative (Annotated)Predicted LC-MS/MSsplash10-0udi-2911200000-81cfd96a0caf81b61199
Predicted MS/MS Spectrum - 20V, Positive (Annotated)Predicted LC-MS/MSsplash10-00l2-0222900000-1a96bc92b7b966d7cb2e
Predicted MS/MS Spectrum - 40V, Negative (Annotated)Predicted LC-MS/MSsplash10-00xr-1971300000-396b0e48947fd94b0fcd
Predicted MS/MS Spectrum - 40V, Positive (Annotated)Predicted LC-MS/MSsplash10-014s-0892500000-a36aab43e5121b25bfcf
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]-253.4556378
predicted
DarkChem Lite v0.1.0
[M+H]+256.3096378
predicted
DarkChem Lite v0.1.0
[M+Na]+253.9066378
predicted
DarkChem Lite v0.1.0

Drug created at May 20, 2019 15:03 / Updated at June 12, 2020 16:53