[6-[[4-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] benzoate
| Internal ID | 80b51fd1-0359-42e2-bf22-90f5233e4c4f |
| Taxonomy | Phenylpropanoids and polyketides > Cinnamic acids and derivatives > Hydroxycinnamic acids and derivatives > Coumaric acids and derivatives |
| IUPAC Name | [6-[[4-[3-(3,4-dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] benzoate |
| SMILES (Canonical) | C1C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C3=CC=CC=C3)O)O)O)O)(COC(=O)C=CC4=CC(=C(C=C4)O)O)O |
| SMILES (Isomeric) | C1C(C(C(O1)OCC2C(C(C(C(O2)OC(=O)C3=CC=CC=C3)O)O)O)O)(COC(=O)C=CC4=CC(=C(C=C4)O)O)O |
| InChI | InChI=1S/C27H30O14/c28-16-8-6-14(10-17(16)29)7-9-19(30)38-12-27(36)13-39-26(23(27)34)37-11-18-20(31)21(32)22(33)25(40-18)41-24(35)15-4-2-1-3-5-15/h1-10,18,20-23,25-26,28-29,31-34,36H,11-13H2 |
| InChI Key | XKKMAZGQXTUOCG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O14 |
| Molecular Weight | 578.50 g/mol |
| Exact Mass | 578.16355563 g/mol |
| Topological Polar Surface Area (TPSA) | 222.00 Ų |
| XlogP | -0.70 |
| There are no found synonyms. |
![2D Structure of [6-[[4-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] benzoate](https://plantaedb.com/storage/docs/compounds/2023/11/f8823d60-8639-11ee-9ba2-27458758bceb.jpg "2D Structure of [6-[[4-[3-(3,4-Dihydroxyphenyl)prop-2-enoyloxymethyl]-3,4-dihydroxyoxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] benzoate")
| 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 | 99.79% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.12% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.81% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.47% | 94.62% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.45% | 89.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 94.12% | 94.23% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 93.46% | 90.17% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 93.32% | 83.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.71% | 95.56% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.05% | 96.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 90.23% | 80.78% |
| CHEMBL2179 | P04062 | Beta-glucocerebrosidase | 89.49% | 85.31% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.42% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.77% | 98.95% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.08% | 99.23% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 85.65% | 94.08% |
| CHEMBL3194 | P02766 | Transthyretin | 83.89% | 90.71% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 83.68% | 95.93% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.66% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.53% | 94.73% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.64% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.56% | 99.17% |
| CHEMBL5028 | O14672 | ADAM10 | 82.13% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.56% | 90.00% |
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.
| Psydrax lividus |
| PubChem | 162901803 |
| LOTUS | LTS0097653 |
| wikiData | Q105329528 |