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Salvianolic acid A

CAT: 1568-C13905Size: 1 mgDry Ice: NoHazardous: No
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CAT#:1568-C13905Size:1 mg
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CAS Number
96574-01-5
Synonyms
Dan Phenolic Acid A
SKU
C13905-1mg
Target
Immunology & Inflammation related
Applications
Immunology & Inflammation
Smiles
C1=CC (=C (C=C1CC (C (=O) O) OC (=O) C=CC2=C (C (=C (C=C2) O) O) C=CC3=CC (=C (C=C3) O) O) O) O
Molecular Formula
C26H22O10
Additionnal Information
Salvianolic acid A (Dan Phenolic Acid A), a water-soluble compound extracted from Radix Salvia miltiorrhiza (Danshen), is an antioxidant and free radical scavenging compound that also acts as an inhibitor of the protein-protein interaction mediated by SH2 domains of Src-family kinases Src and Lck.
Storage Conditions
3 years -20°C powder

Chemical Information

Salvianolic acid

Salvianolic acid A is a stilbenoid.

CAS Number96574-01-5
PubChem CID5281793
IUPAC Name(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid
Molecular FormulaC26H22O10
Molecular Weight494.4
XLogP3.9
Topological Polar Surface Area185
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Heavy Atom Count36
Formal Charge0
Complexity798
SMILES
C1=CC(=C(C=C1C[C@H](C(=O)O)OC(=O)/C=C/C2=C(C(=C(C=C2)O)O)/C=C/C3=CC(=C(C=C3)O)O)O)O
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
InChIKey
YMGFTDKNIWPMGF-UCPJVGPRSA-N
Chemical Structure
2D Structure
2D structure of Salvianolic acid
CAS: 96574-01-5
CID: 5281793
Formula: C26H22O10
MW: 494.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight494.4
XLogP33.9
Hydrogen Bond Donor Count7
Hydrogen Bond Acceptor Count10
Rotatable Bond Count9
Exact Mass494.12129689
Monoisotopic Mass494.12129689
Topological Polar Surface Area185 Ų
Heavy Atom Count36
Formal Charge0
Complexity798
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count2
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes