(2S,4S,6R)-2-[(1S)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-(4-hydroxy-3-methoxyphenyl)oxan-4-ol
| Internal ID | 570e649e-0b57-4f1c-82a6-1d2716cde64a |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | (2S,4S,6R)-2-[(1S)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-(4-hydroxy-3-methoxyphenyl)oxan-4-ol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C2CC(CC(O2)C(CC3=CC=C(C=C3)O)O)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)[C@H]2C[C@@H](C[C@H](O2)[C@H](CC3=CC=C(C=C3)O)O)O)O |
| InChI | InChI=1S/C20H24O6/c1-25-19-9-13(4-7-16(19)23)18-10-15(22)11-20(26-18)17(24)8-12-2-5-14(21)6-3-12/h2-7,9,15,17-18,20-24H,8,10-11H2,1H3/t15-,17-,18+,20-/m0/s1 |
| InChI Key | UKFYIKOSRJMAAB-BOLBYERCSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H24O6 |
| Molecular Weight | 360.40 g/mol |
| Exact Mass | 360.15728848 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of (2S,4S,6R)-2-[(1S)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-(4-hydroxy-3-methoxyphenyl)oxan-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/2s4s6r-2-1s-1-hydroxy-2-4-hydroxyphenylethyl-6-4-hydroxy-3-methoxyphenyloxan-4-ol.jpg "2D Structure of (2S,4S,6R)-2-[(1S)-1-hydroxy-2-(4-hydroxyphenyl)ethyl]-6-(4-hydroxy-3-methoxyphenyl)oxan-4-ol")
| 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 | 98.93% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.94% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 95.07% | 96.95% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.65% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.41% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 93.63% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.25% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 91.21% | 97.21% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.84% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.77% | 95.89% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.74% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.93% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.05% | 86.33% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 86.88% | 97.14% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.57% | 90.71% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.29% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.16% | 95.56% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.06% | 88.48% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.67% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.94% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.37% | 92.62% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.68% | 90.20% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 81.03% | 98.35% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.86% | 89.00% |
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.
| Alnus hirsuta |
| Juglans mandshurica |
| Rhoiptelea chiliantha |
| PubChem | 46184734 |
| LOTUS | LTS0212642 |
| wikiData | Q105274514 |