(1S,2R)-1-(4-hydroxyphenyl)-2-[[4-(3-hydroxypropyl)-2-methoxyphenyl]methyl]propane-1,3-diol
| Internal ID | 6773ed03-2f46-4640-8593-99e495937fbb |
| Taxonomy | Phenylpropanoids and polyketides > Linear 1,3-diarylpropanoids > Cinnamylphenols |
| IUPAC Name | (1S,2R)-1-(4-hydroxyphenyl)-2-[[4-(3-hydroxypropyl)-2-methoxyphenyl]methyl]propane-1,3-diol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CCCO)CC(CO)C(C2=CC=C(C=C2)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)CCCO)C[C@H](CO)[C@@H](C2=CC=C(C=C2)O)O |
| InChI | InChI=1S/C20H26O5/c1-25-19-11-14(3-2-10-21)4-5-16(19)12-17(13-22)20(24)15-6-8-18(23)9-7-15/h4-9,11,17,20-24H,2-3,10,12-13H2,1H3/t17-,20-/m1/s1 |
| InChI Key | COFYYDRFPSXRPM-YLJYHZDGSA-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) | 90.20 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (1S,2R)-1-(4-hydroxyphenyl)-2-[[4-(3-hydroxypropyl)-2-methoxyphenyl]methyl]propane-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1s2r-1-4-hydroxyphenyl-2-4-3-hydroxypropyl-2-methoxyphenylmethylpropane-13-diol.jpg "2D Structure of (1S,2R)-1-(4-hydroxyphenyl)-2-[[4-(3-hydroxypropyl)-2-methoxyphenyl]methyl]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 | 98.46% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.08% | 98.95% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 95.91% | 90.20% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.88% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.69% | 91.11% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 94.47% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 93.69% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.81% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.65% | 85.14% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 91.80% | 95.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.97% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.33% | 95.50% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 85.19% | 98.35% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 85.13% | 97.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.33% | 91.71% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.11% | 90.00% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 83.24% | 100.00% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 82.98% | 91.23% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.07% | 90.71% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 81.77% | 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 | 163051006 |
| LOTUS | LTS0201074 |
| wikiData | Q104966896 |