(1S,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethane-1,2-diol
| Internal ID | 9ab49f2a-880f-4694-b546-f39c28e9eeca |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (1S,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethane-1,2-diol |
| SMILES (Canonical) | CC=CC1=CC(=C(C=C1)OC(C(C2=CC(=C(C=C2)O)OC)O)O)OC |
| SMILES (Isomeric) | C/C=C/C1=CC(=C(C=C1)O[C@@H]([C@H](C2=CC(=C(C=C2)O)OC)O)O)OC |
| InChI | InChI=1S/C19H22O6/c1-4-5-12-6-9-15(17(10-12)24-3)25-19(22)18(21)13-7-8-14(20)16(11-13)23-2/h4-11,18-22H,1-3H3/b5-4+/t18-,19-/m0/s1 |
| InChI Key | WWZPLXRAECBRSO-OJBOGMDESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H22O6 |
| Molecular Weight | 346.40 g/mol |
| Exact Mass | 346.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 88.40 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (1S,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethane-1,2-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1s2s-1-4-hydroxy-3-methoxyphenyl-2-2-methoxy-4-e-prop-1-enylphenoxyethane-12-diol.jpg "2D Structure of (1S,2S)-1-(4-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]ethane-1,2-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.65% | 91.11% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.07% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.70% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 92.42% | 90.71% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 92.29% | 90.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.13% | 86.33% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.04% | 89.62% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.70% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.16% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.51% | 95.56% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 89.76% | 90.20% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.04% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.28% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.60% | 99.17% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 81.41% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 80.96% | 89.00% |
| CHEMBL301 | P24941 | Cyclin-dependent kinase 2 | 80.78% | 91.23% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.38% | 99.15% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.04% | 89.50% |
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.
| Saururus chinensis |
| PubChem | 163188431 |
| LOTUS | LTS0125083 |
| wikiData | Q105314453 |