4-[3-Hydroxy-2-[3-(3-hydroxypropyl)-5-methoxyphenyl]propyl]-2-methoxyphenol
| Internal ID | 289068d1-47c9-493c-bfef-22e4f788f4b2 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 4-[3-hydroxy-2-[3-(3-hydroxypropyl)-5-methoxyphenyl]propyl]-2-methoxyphenol |
| SMILES (Canonical) | COC1=CC(=CC(=C1)C(CC2=CC(=C(C=C2)O)OC)CO)CCCO |
| SMILES (Isomeric) | COC1=CC(=CC(=C1)C(CC2=CC(=C(C=C2)O)OC)CO)CCCO |
| InChI | InChI=1S/C20H26O5/c1-24-18-10-14(4-3-7-21)8-16(12-18)17(13-22)9-15-5-6-19(23)20(11-15)25-2/h5-6,8,10-12,17,21-23H,3-4,7,9,13H2,1-2H3 |
| InChI Key | ZCDGOGHAHCAQPQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O5 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 4-[3-Hydroxy-2-[3-(3-hydroxypropyl)-5-methoxyphenyl]propyl]-2-methoxyphenol](https://plantaedb.com/storage/docs/compounds/2023/11/4-3-hydroxy-2-3-3-hydroxypropyl-5-methoxyphenylpropyl-2-methoxyphenol.jpg "2D Structure of 4-[3-Hydroxy-2-[3-(3-hydroxypropyl)-5-methoxyphenyl]propyl]-2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.09% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.81% | 91.11% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.00% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.88% | 98.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 93.25% | 99.15% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.59% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.61% | 90.00% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 88.97% | 95.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.04% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.93% | 95.56% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.20% | 90.24% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.97% | 95.50% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.70% | 86.33% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 85.62% | 90.20% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.44% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.32% | 94.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.83% | 96.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.78% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.77% | 92.62% |
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.
| Brosimum acutifolium |
| PubChem | 163033855 |
| LOTUS | LTS0084053 |
| wikiData | Q105371044 |