[4-[2,3,5-Trihydroxy-6-methyl-4-[4-(2-phenylacetyl)oxyphenyl]phenyl]phenyl] 2-phenylacetate
| Internal ID | b98c5172-a878-43c9-81bd-e21d07610190 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls |
| IUPAC Name | [4-[2,3,5-trihydroxy-6-methyl-4-[4-(2-phenylacetyl)oxyphenyl]phenyl]phenyl] 2-phenylacetate |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H28O7/c1-22-31(25-12-16-27(17-13-25)41-29(36)20-23-8-4-2-5-9-23)34(39)35(40)32(33(22)38)26-14-18-28(19-15-26)42-30(37)21-24-10-6-3-7-11-24/h2-19,38-40H,20-21H2,1H3 |
| InChI Key | QRHWAVQHCSXSKQ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C35H28O7 |
| Molecular Weight | 560.60 g/mol |
| Exact Mass | 560.18350323 g/mol |
| Topological Polar Surface Area (TPSA) | 113.00 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
![2D Structure of [4-[2,3,5-Trihydroxy-6-methyl-4-[4-(2-phenylacetyl)oxyphenyl]phenyl]phenyl] 2-phenylacetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-235-trihydroxy-6-methyl-4-4-2-phenylacetyloxyphenylphenylphenyl-2-phenylacetate.jpg "2D Structure of [4-[2,3,5-Trihydroxy-6-methyl-4-[4-(2-phenylacetyl)oxyphenyl]phenyl]phenyl] 2-phenylacetate")
| 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 | 97.57% | 98.95% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.54% | 91.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.70% | 95.50% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.27% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 91.03% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.08% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.81% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.70% | 99.17% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 87.43% | 92.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.23% | 99.15% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.90% | 94.00% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.23% | 90.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 83.97% | 91.11% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.42% | 94.62% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.99% | 94.73% |
| CHEMBL3902 | P09211 | Glutathione S-transferase Pi | 80.34% | 93.81% |
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.
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| There are no matching plants. |
| PubChem | 162972148 |
| LOTUS | LTS0220542 |
| wikiData | Q105226345 |