[4-Acetyloxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-hydroxybutanoate
| Internal ID | fbe239c6-1794-4b2a-81d2-3aa2e8db8cbb |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Terphenyls > P-terphenyls |
| IUPAC Name | [4-acetyloxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-hydroxybutanoate |
| SMILES (Canonical) | CC(CC(=O)OC1=C(C(=C(C(=C1O)C2=CC=C(C=C2)O)OC(=O)C)O)C3=CC=C(C=C3)O)O |
| SMILES (Isomeric) | CC(CC(=O)OC1=C(C(=C(C(=C1O)C2=CC=C(C=C2)O)OC(=O)C)O)C3=CC=C(C=C3)O)O |
| InChI | InChI=1S/C24H22O9/c1-12(25)11-18(29)33-24-20(15-5-9-17(28)10-6-15)21(30)23(32-13(2)26)19(22(24)31)14-3-7-16(27)8-4-14/h3-10,12,25,27-28,30-31H,11H2,1-2H3 |
| InChI Key | TUDASCLVGVCARU-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H22O9 |
| Molecular Weight | 454.40 g/mol |
| Exact Mass | 454.12638228 g/mol |
| Topological Polar Surface Area (TPSA) | 154.00 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of [4-Acetyloxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)phenyl] 3-hydroxybutanoate](https://plantaedb.com/storage/docs/compounds/2023/11/4-acetyloxy-25-dihydroxy-36-bis4-hydroxyphenylphenyl-3-hydroxybutanoate.jpg "2D Structure of [4-Acetyloxy-2,5-dihydroxy-3,6-bis(4-hydroxyphenyl)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 | 97.78% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.82% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.08% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.62% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.27% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.58% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 87.63% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.03% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.58% | 97.21% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 85.50% | 93.10% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.06% | 95.89% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 83.10% | 95.64% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 81.90% | 83.10% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.11% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.67% | 94.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 80.56% | 94.73% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 80.47% | 98.35% |
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.
| Wachendorfia thyrsiflora |
| Xiphidium caeruleum |
| PubChem | 56663851 |
| LOTUS | LTS0115939 |
| wikiData | Q105269148 |