2,4-Bis(4-hydroxybenzyl)-3-(3-hydroxyphenethyl)-5-methoxyphenol
| Internal ID | 63c71fa9-71e5-4ae9-86d9-f45a2a059f21 |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids > Curcuminoids |
| IUPAC Name | 3-[2-(3-hydroxyphenyl)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=CC(=CC=C3)O)CC4=CC=C(C=C4)O |
| SMILES (Isomeric) | COC1=C(C(=C(C(=C1)O)CC2=CC=C(C=C2)O)CCC3=CC(=CC=C3)O)CC4=CC=C(C=C4)O |
| InChI | InChI=1S/C29H28O5/c1-34-29-18-28(33)26(16-20-5-10-22(30)11-6-20)25(14-9-19-3-2-4-24(32)15-19)27(29)17-21-7-12-23(31)13-8-21/h2-8,10-13,15,18,30-33H,9,14,16-17H2,1H3 |
| InChI Key | DSCBUYFNNVREGM-UHFFFAOYSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C29H28O5 |
| Molecular Weight | 456.50 g/mol |
| Exact Mass | 456.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 90.20 Ų |
| XlogP | 6.50 |
| BDBM50160802 |
| 3,3'-dihydroxy-2,6-bis(4-hydroxybenzyl)-5-methoxybibenzyl |
| 2,4-Bis(4-hydroxybenzyl)-3-(3-hydroxyphenethyl)-5-methoxyphenol |
| 2,4-Bis-(4-hydroxy-benzyl)-3-[2-(3-hydroxy-phenyl)-ethyl]-5-methoxy-phenol |
| 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 | 96.94% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.83% | 96.09% |
| CHEMBL2535 | P11166 | Glucose transporter | 94.47% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.85% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 92.34% | 90.20% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.61% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.33% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.25% | 91.11% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 89.45% | 95.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.39% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.10% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.72% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.74% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.30% | 93.99% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.49% | 96.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.36% | 95.89% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.36% | 94.73% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.14% | 90.00% |
| CHEMBL3194 | P02766 | Transthyretin | 81.97% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.08% | 99.15% |
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.
| Arundina graminifolia |
| Bletilla formosana |
| Bletilla striata |
| Gymnadenia conopsea |
| Pleione formosana |
| Pleione yunnanensis |
| Syzygium aromaticum |
| PubChem | 11282492 |
| NPASS | NPC254000 |
| ChEMBL | CHEMBL182868 |
| LOTUS | LTS0135165 |
| wikiData | Q104987760 |