Salvianolic acid A

Details

Physical and Chemical Properties

Synonyms

2D Structure

3D Structure

ADMET Properties

Targets (proven and/or predicted)

Plants that contains it

Cross-Links

Details

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Internal ID	fe860e05-7b00-4f63-9f57-ab42d09599c7
Taxonomy	Phenylpropanoids and polyketides > Stilbenes
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
SMILES (Canonical)	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
SMILES (Isomeric)	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
InChI Key	YMGFTDKNIWPMGF-UCPJVGPRSA-N
Popularity	220 references in papers

Physical and Chemical Properties

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Molecular Formula	C₂₆H₂₂O₁₀
Molecular Weight	494.40 g/mol
Exact Mass	494.12129689 g/mol
Topological Polar Surface Area (TPSA)	185.00 Å²
XlogP	3.90

Synonyms

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96574-01-5

SALVIANOLIC ACID

Dan Phenolic Acid A

(R)-3-(3,4-Dihydroxyphenyl)-2-(((E)-3-(2-((E)-3,4-dihydroxystyryl)-3,4-dihydroxyphenyl)acryloyl)oxy)propanoic acid

(+)-Salvianolic acid A

Salvianolic-acid-A

CHEMBL457077

CHEBI:9017

(2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[2-[(E)-2-(3,4-dihydroxyphenyl)ethenyl]-3,4-dihydroxyphenyl]prop-2-enoyl]oxypropanoic acid

UNII-51622542XO

There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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3D Structure

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ADMET Properties (via admetSAR 2)

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Target	Value	Probability (raw)	Probability (%)
No predicted properties yet!

Targets

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Proven Targets:

CHEMBL ID	UniProt ID	Name	Min activity	Assay type	Source
CHEMBL205	P00918	Carbonic anhydrase II	9594.4 nM	Ki	PMID: 26498393
CHEMBL3729	P22748	Carbonic anhydrase IV	66.6 nM 66.6 nM	Ki Ki	PMID: 26498393 via Super-PRED
CHEMBL2326	P43166	Carbonic anhydrase VII	71.4 nM 71.4 nM	Ki Ki	PMID: 26498393 via Super-PRED
CHEMBL3242	O43570	Carbonic anhydrase XII	39.8 nM 39.8 nM	Ki Ki	PMID: 26498393 via Super-PRED
CHEMBL258	P06239	Tyrosine-protein kinase LCK	23500 nM	IC50	PMID: 19427202
CHEMBL267	P12931	Tyrosine-protein kinase SRC	36200 nM	IC50	PMID: 19427202

Predicted Targets (via Super-PRED):

CHEMBL ID	UniProt ID	Name	Probability	Model accuracy
CHEMBL5619	P27695	DNA-(apurinic or apyrimidinic site) lyase	99.21%	91.11%
CHEMBL1951	P21397	Monoamine oxidase A	98.08%	91.49%
CHEMBL1075094	Q16236	Nuclear factor erythroid 2-related factor 2	96.89%	96.00%
CHEMBL3194	P02766	Transthyretin	95.74%	90.71%
CHEMBL4203	Q9HAZ1	Dual specificity protein kinase CLK4	95.50%	94.45%
CHEMBL1293249	Q13887	Kruppel-like factor 5	94.14%	86.33%
CHEMBL2581	P07339	Cathepsin D	93.94%	98.95%
CHEMBL3108638	O15164	Transcription intermediary factor 1-alpha	92.45%	95.56%
CHEMBL3060	Q9Y345	Glycine transporter 2	90.53%	99.17%
CHEMBL2288	Q13526	Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1	90.50%	91.71%
CHEMBL3251	P19838	Nuclear factor NF-kappa-B p105 subunit	89.08%	96.09%
CHEMBL1860	P10827	Thyroid hormone receptor alpha	88.84%	99.15%
CHEMBL221	P23219	Cyclooxygenase-1	87.63%	90.17%
CHEMBL335	P18031	Protein-tyrosine phosphatase 1B	87.59%	95.17%
CHEMBL1806	P11388	DNA topoisomerase II alpha	87.14%	89.00%
CHEMBL3401	O75469	Pregnane X receptor	82.26%	94.73%
CHEMBL3091268	Q92753	Nuclear receptor ROR-beta	81.49%	95.50%
CHEMBL3492	P49721	Proteasome Macropain subunit	81.34%	90.24%
CHEMBL4016	P42262	Glutamate receptor ionotropic, AMPA 2	80.95%	86.92%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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Angelica keiskei

Heliotropium sarmentosum