[2-acetyloxy-3,6-bis(4-hydroxyphenyl)-4,5-bis[[(Z)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoyl]oxy]phenyl] (Z)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoate
| Internal ID | cd726ffb-9106-41e7-8524-6252f7735fb0 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls |
| IUPAC Name | [2-acetyloxy-3,6-bis(4-hydroxyphenyl)-4,5-bis[[(Z)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoyl]oxy]phenyl] (Z)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoate |
| SMILES (Canonical) | CC1C(O1)C=CC(=O)OC2=C(C(=C(C(=C2OC(=O)C)C3=CC=C(C=C3)O)OC(=O)C=CC4C(O4)C)OC(=O)C=CC5C(O5)C)C6=CC=C(C=C6)O |
| SMILES (Isomeric) | C[C@H]1[C@H](O1)/C=C\C(=O)OC2=C(C(=C(C(=C2OC(=O)C)C3=CC=C(C=C3)O)OC(=O)/C=C\[C@@H]4[C@@H](O4)C)OC(=O)/C=C\[C@@H]5[C@@H](O5)C)C6=CC=C(C=C6)O |
| InChI | InChI=1S/C38H34O13/c1-19-27(45-19)13-16-30(42)49-36-34(24-7-11-26(41)12-8-24)38(51-32(44)18-15-29-21(3)47-29)37(50-31(43)17-14-28-20(2)46-28)33(35(36)48-22(4)39)23-5-9-25(40)10-6-23/h5-21,27-29,40-41H,1-4H3/b16-13-,17-14-,18-15-/t19-,20-,21-,27+,28+,29+/m0/s1 |
| InChI Key | QPGKQDNGSJHXHK-YQZLAJEPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C38H34O13 |
| Molecular Weight | 698.70 g/mol |
| Exact Mass | 698.19994113 g/mol |
| Topological Polar Surface Area (TPSA) | 183.00 Ų |
| XlogP | 4.50 |
| There are no found synonyms. |
![2D Structure of [2-acetyloxy-3,6-bis(4-hydroxyphenyl)-4,5-bis[[(Z)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoyl]oxy]phenyl] (Z)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoate](https://plantaedb.com/storage/docs/compounds/2023/11/f9d34de0-86d1-11ee-b08f-4747945fa01a.jpg "2D Structure of [2-acetyloxy-3,6-bis(4-hydroxyphenyl)-4,5-bis[[(Z)-3-[(2R,3S)-3-methyloxiran-2-yl]prop-2-enoyl]oxy]phenyl] (Z)-3-[(2R,3S)-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 | 94.41% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.72% | 98.95% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 92.44% | 95.64% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.39% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.32% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.73% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.45% | 94.45% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 87.13% | 98.35% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.77% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.22% | 94.73% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.89% | 93.10% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.81% | 91.19% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.74% | 95.56% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.34% | 97.21% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.21% | 95.89% |
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 | 101073343 |
| LOTUS | LTS0077592 |
| wikiData | Q105225366 |