[2,5-Bis(4-hydroxyphenyl)-3,4,6-tris[3-(3-methyloxiran-2-yl)prop-2-enoyloxy]phenyl] 3-(3-methyloxiran-2-yl)prop-2-enoate
| Internal ID | 6010e56a-cf0d-40d0-a0dc-aaa96ef517f6 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls |
| IUPAC Name | [2,5-bis(4-hydroxyphenyl)-3,4,6-tris[3-(3-methyloxiran-2-yl)prop-2-enoyloxy]phenyl] 3-(3-methyloxiran-2-yl)prop-2-enoate |
| SMILES (Canonical) | CC1C(O1)C=CC(=O)OC2=C(C(=C(C(=C2OC(=O)C=CC3C(O3)C)C4=CC=C(C=C4)O)OC(=O)C=CC5C(O5)C)OC(=O)C=CC6C(O6)C)C7=CC=C(C=C7)O |
| SMILES (Isomeric) | CC1C(O1)C=CC(=O)OC2=C(C(=C(C(=C2OC(=O)C=CC3C(O3)C)C4=CC=C(C=C4)O)OC(=O)C=CC5C(O5)C)OC(=O)C=CC6C(O6)C)C7=CC=C(C=C7)O |
| InChI | InChI=1S/C42H38O14/c1-21-29(49-21)13-17-33(45)53-39-37(25-5-9-27(43)10-6-25)41(55-35(47)19-15-31-23(3)51-31)42(56-36(48)20-16-32-24(4)52-32)38(26-7-11-28(44)12-8-26)40(39)54-34(46)18-14-30-22(2)50-30/h5-24,29-32,43-44H,1-4H3 |
| InChI Key | KGWRAUIBLVGBPO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C42H38O14 |
| Molecular Weight | 766.70 g/mol |
| Exact Mass | 766.22615588 g/mol |
| Topological Polar Surface Area (TPSA) | 196.00 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of [2,5-Bis(4-hydroxyphenyl)-3,4,6-tris[3-(3-methyloxiran-2-yl)prop-2-enoyloxy]phenyl] 3-(3-methyloxiran-2-yl)prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/b67ec110-863c-11ee-8b9e-c3daec7912d1.jpg "2D Structure of [2,5-Bis(4-hydroxyphenyl)-3,4,6-tris[3-(3-methyloxiran-2-yl)prop-2-enoyloxy]phenyl] 3-(3-methyloxiran-2-yl)prop-2-enoate")
| 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 | 92.31% | 91.11% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 91.73% | 95.64% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.33% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.17% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.14% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.07% | 89.00% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 87.34% | 98.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.77% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.00% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.37% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.33% | 94.45% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.43% | 93.10% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.11% | 91.19% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.83% | 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.
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| There are no matching plants. |
| PubChem | 85124933 |
| LOTUS | LTS0045697 |
| wikiData | Q105141013 |