1-(4-Hydroxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol
| Internal ID | ad1de11e-4e42-4372-a1f3-f1de9e9dbaab |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 1-(4-hydroxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C19H24O6/c1-24-17-11-13(3-2-10-20)4-9-16(17)25-18(12-21)19(23)14-5-7-15(22)8-6-14/h4-9,11,18-23H,2-3,10,12H2,1H3 |
| InChI Key | KMRAGNBQNZWMMG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H24O6 |
| Molecular Weight | 348.40 g/mol |
| Exact Mass | 348.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 1.70 |
| There are no found synonyms. |
![2D Structure of 1-(4-Hydroxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1-4-hydroxyphenyl-2-4-3-hydroxypropyl-2-methoxyphenoxypropane-13-diol.jpg "2D Structure of 1-(4-Hydroxyphenyl)-2-[4-(3-hydroxypropyl)-2-methoxyphenoxy]propane-1,3-diol")
| 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 | 99.15% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.34% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.31% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 94.20% | 99.17% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.50% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.93% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.62% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 92.25% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.93% | 98.75% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 90.16% | 86.92% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.96% | 95.89% |
| CHEMBL2815 | P04629 | Nerve growth factor receptor Trk-A | 85.84% | 87.16% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.55% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.20% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.78% | 90.71% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 80.80% | 100.00% |
| CHEMBL5555 | O00767 | Acyl-CoA desaturase | 80.67% | 97.50% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 80.08% | 96.09% |
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.
| Broussonetia papyrifera |
| PubChem | 44188449 |
| LOTUS | LTS0074863 |
| wikiData | Q105143151 |