3-[2-[5-Hydroxy-2-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol
| Internal ID | 0ae7f0b4-56bb-4922-8896-d6ea4eb77f30 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids |
| IUPAC Name | 3-[2-[5-hydroxy-2-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol |
| SMILES (Canonical) | COC1=C(C(=C(C(=C1)O)CC2=CC=C(C=C2)O)CCC3=C(C=CC(=C3)O)CC4=CC=C(C=C4)O)CC5=CC=C(C=C5)O |
| SMILES (Isomeric) | COC1=C(C(=C(C(=C1)O)CC2=CC=C(C=C2)O)CCC3=C(C=CC(=C3)O)CC4=CC=C(C=C4)O)CC5=CC=C(C=C5)O |
| InChI | InChI=1S/C36H34O6/c1-42-36-22-35(41)33(19-24-4-12-29(38)13-5-24)32(34(36)20-25-6-14-30(39)15-7-25)17-9-27-21-31(40)16-8-26(27)18-23-2-10-28(37)11-3-23/h2-8,10-16,21-22,37-41H,9,17-20H2,1H3 |
| InChI Key | QYJWZZXLMFZYNH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C36H34O6 |
| Molecular Weight | 562.60 g/mol |
| Exact Mass | 562.23553880 g/mol |
| Topological Polar Surface Area (TPSA) | 110.00 Ų |
| XlogP | 8.10 |
| There are no found synonyms. |
![2D Structure of 3-[2-[5-Hydroxy-2-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/6a8d49b0-8592-11ee-b3b2-67418c078172.jpg "2D Structure of 3-[2-[5-Hydroxy-2-[(4-hydroxyphenyl)methyl]phenyl]ethyl]-2,4-bis[(4-hydroxyphenyl)methyl]-5-methoxyphenol")
| 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 |
|---|---|---|---|---|
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 96.81% | 95.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.57% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.50% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.82% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 92.35% | 98.75% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.73% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.00% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 90.06% | 90.20% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.38% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.33% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 87.99% | 90.71% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.96% | 95.50% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.47% | 93.99% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 85.83% | 96.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.57% | 89.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 85.09% | 91.79% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.35% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.00% | 94.45% |
| CHEMBL5896 | O75164 | Lysine-specific demethylase 4A | 81.72% | 99.09% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.41% | 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.
To see more specific details click the taxa you are interested in.
| Pleione formosana |
| PubChem | 162881652 |
| LOTUS | LTS0172692 |
| wikiData | Q105230219 |