Salvianolic acid
(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid
Molecular Identity
Salvianolic acid
(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid
PubChem CID: 5281793
Salvianolic acid A is a stilbenoid.
2D Structure
Properties
C26H22O10
Molecular Formula
494.40
Molecular Weight
g/mol
494.1213
Exact Mass
Da
3.9
XLogP
Drug-like (Lipinski: < 5)
185
TPSA
May have limited oral absorption
7
H-Bond Donors
10
H-Bond Acceptors
798
Complexity
SMILES
Canonical SMILES
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)OIsomeric SMILES
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)OSynonyms(20)
Salvianolic acid A96574-01-5SALVIANOLIC ACIDDan Phenolic Acid A(+)-Salvianolic acid A(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid51622542XODTXSID701316580(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)vinyl]-3,4-dihydroxy-phenyl]prop-2-enoyl]oxy-propanoic acidBenzenepropanoic acid, alpha-((3-(2-(2-(3,4-dihydroxyphenyl)ethenyl)-3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (R-(E,E))-(2R)-3-(3,4-dihydroxyphenyl)-2-((E)-3-(2-((E)-2-(3,4-dihydroxyphenyl)ethenyl)-3,4-dihydroxyphenyl)prop-2-enoyl)oxypropanoic acid(2R)-3-(3,4-dihydroxyphenyl)-2-((E)-3-(2-((E)-2-(3,4-dihydroxyphenyl)vinyl)-3,4-dihydroxy-phenyl)prop-2-enoyl)oxy-propanoic acidRefChem:931197DTXCID001746419benzenepropanoic acid, alpha-(((2E)-3-(2-((1E)-2-(3,4-dihydroxyphenyl)ethenyl)-3,4-dihydroxyphenyl)-1-oxo-2-propenyl)oxy)-3,4-dihydroxy-, (alphaR)-
Data from PubChem (NCBI)
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