Salvianolicacid D
| Internal ID | 6440e624-85cd-49ee-9da4-3357ffdb251c |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | 2-[3-[2-(carboxymethyl)-3,4-dihydroxyphenyl]prop-2-enoyloxy]-3-(3,4-dihydroxyphenyl)propanoic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H18O10/c21-13-4-1-10(7-15(13)23)8-16(20(28)29)30-18(26)6-3-11-2-5-14(22)19(27)12(11)9-17(24)25/h1-7,16,21-23,27H,8-9H2,(H,24,25)(H,28,29) |
| InChI Key | KFCMFABBVSIHTB-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C20H18O10 |
| Molecular Weight | 418.30 g/mol |
| Exact Mass | 418.08999677 g/mol |
| Topological Polar Surface Area (TPSA) | 182.00 Ų |
| XlogP | 1.80 |
| SCHEMBL21315818 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.37% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.74% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.27% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.79% | 94.45% |
| CHEMBL3194 | P02766 | Transthyretin | 93.49% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.29% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.66% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.42% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.87% | 99.15% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.10% | 90.17% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.40% | 91.71% |
| CHEMBL2216739 | Q92523 | Carnitine O-palmitoyltransferase 1, muscle isoform | 87.58% | 88.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.07% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.82% | 95.56% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 86.52% | 94.62% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.86% | 90.20% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 85.86% | 95.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.15% | 98.75% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.84% | 89.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.55% | 95.50% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 81.13% | 97.53% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Salvia miltiorrhiza |