Caffeoyl-feruloyltartaric acid
| Internal ID | f4a625df-1477-4f0c-a60f-b0e14ebbfe0d |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives |
| IUPAC Name | 2-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxy-3-[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoyl]butanedioic acid |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=CC(=O)C(C(=O)O)(C(C(=O)C=CC2=CC(=C(C=C2)O)O)(C(=O)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)/C=C/C(=O)C(C(=O)O)(C(C(=O)/C=C/C2=CC(=C(C=C2)O)O)(C(=O)O)O)O)O |
| InChI | InChI=1S/C23H20O12/c1-35-17-11-13(3-7-15(17)25)5-9-19(28)23(34,21(31)32)22(33,20(29)30)18(27)8-4-12-2-6-14(24)16(26)10-12/h2-11,24-26,33-34H,1H3,(H,29,30)(H,31,32)/b8-4+,9-5+ |
| InChI Key | DDCMPKZHPFYFQJ-KBXRYBNXSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C23H20O12 |
| Molecular Weight | 488.40 g/mol |
| Exact Mass | 488.09547607 g/mol |
| Topological Polar Surface Area (TPSA) | 219.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
| 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 | 98.02% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.66% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.14% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.94% | 95.56% |
| CHEMBL3194 | P02766 | Transthyretin | 93.46% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.29% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.88% | 96.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.44% | 99.17% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.70% | 89.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.40% | 80.78% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 84.96% | 95.50% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.38% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.31% | 89.62% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.74% | 99.15% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.57% | 90.20% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.58% | 98.75% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.26% | 94.73% |
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.
| Isodon rubescens |
| PubChem | 129724266 |
| LOTUS | LTS0133463 |
| wikiData | Q104399476 |