[3,4-Bis(3-hydroxybutanoyloxy)-2,5-bis(4-hydroxyphenyl)-6-(3-phenylpropanoyloxy)phenyl] 3-hydroxybutanoate
| Internal ID | c6d442ee-f6c5-4930-bf78-49538964d0a4 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls |
| IUPAC Name | [3,4-bis(3-hydroxybutanoyloxy)-2,5-bis(4-hydroxyphenyl)-6-(3-phenylpropanoyloxy)phenyl] 3-hydroxybutanoate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C39H40O13/c1-22(40)19-31(46)50-37-35(27-12-16-29(44)17-13-27)39(52-33(48)21-24(3)42)38(51-32(47)20-23(2)41)34(26-10-14-28(43)15-11-26)36(37)49-30(45)18-9-25-7-5-4-6-8-25/h4-8,10-17,22-24,40-44H,9,18-21H2,1-3H3 |
| InChI Key | XNQWFEHOBPPJTQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C39H40O13 |
| Molecular Weight | 716.70 g/mol |
| Exact Mass | 716.24689133 g/mol |
| Topological Polar Surface Area (TPSA) | 206.00 Ų |
| XlogP | 4.40 |
| There are no found synonyms. |
![2D Structure of [3,4-Bis(3-hydroxybutanoyloxy)-2,5-bis(4-hydroxyphenyl)-6-(3-phenylpropanoyloxy)phenyl] 3-hydroxybutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/60922a80-876e-11ee-9999-2f1df4320414.jpg "2D Structure of [3,4-Bis(3-hydroxybutanoyloxy)-2,5-bis(4-hydroxyphenyl)-6-(3-phenylpropanoyloxy)phenyl] 3-hydroxybutanoate")
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.06% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.82% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.27% | 99.17% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 93.10% | 94.62% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.35% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.42% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 87.23% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.80% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.20% | 85.14% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.61% | 91.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.11% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.96% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.97% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.19% | 94.73% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.04% | 97.21% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.84% | 100.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.35% | 98.75% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 80.92% | 97.53% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.68% | 96.95% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 80.40% | 86.92% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 80.02% | 100.00% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 73802637 |
| LOTUS | LTS0182647 |
| wikiData | Q104201171 |