Butyl 3,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylate
| Internal ID | 81aa4433-4494-434d-96fe-3536b09b8fc0 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Alcohols and polyols > Cyclitols and derivatives > Quinic acids and derivatives |
| IUPAC Name | butyl 3,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C29H32O12/c1-2-3-12-39-28(37)29(38)15-23(34)27(41-26(36)11-7-18-5-9-20(31)22(33)14-18)24(16-29)40-25(35)10-6-17-4-8-19(30)21(32)13-17/h4-11,13-14,23-24,27,30-34,38H,2-3,12,15-16H2,1H3 |
| InChI Key | QDOLLBRJZCDKGH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H32O12 |
| Molecular Weight | 572.60 g/mol |
| Exact Mass | 572.18937645 g/mol |
| Topological Polar Surface Area (TPSA) | 200.00 Ų |
| XlogP | 3.10 |
| There are no found synonyms. |
![2D Structure of Butyl 3,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/butyl-34-bis3-34-dihydroxyphenylprop-2-enoyloxy-15-dihydroxycyclohexane-1-carboxylate.jpg "2D Structure of Butyl 3,4-bis[3-(3,4-dihydroxyphenyl)prop-2-enoyloxy]-1,5-dihydroxycyclohexane-1-carboxylate")
| 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 | 99.76% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.38% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.25% | 96.09% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 96.41% | 90.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.10% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.90% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.47% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 92.28% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.47% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.46% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.34% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.81% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.16% | 89.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.72% | 96.95% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 83.00% | 80.78% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.06% | 97.21% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.16% | 90.71% |
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.
| Isertia pittieri |
| PubChem | 162915217 |
| LOTUS | LTS0090003 |
| wikiData | Q105218902 |