(1S,2S)-2-[4-[(2S)-2,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol
| Internal ID | 6b9a496f-de45-4226-9e1b-24955ccdbfc4 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | (1S,2S)-2-[4-[(2S)-2,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)CC(CO)O)OC(CO)C(C2=CC(=C(C=C2)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C[C@@H](CO)O)O[C@@H](CO)[C@H](C2=CC(=C(C=C2)O)OC)O |
| InChI | InChI=1S/C20H26O8/c1-26-17-9-13(4-5-15(17)24)20(25)19(11-22)28-16-6-3-12(7-14(23)10-21)8-18(16)27-2/h3-6,8-9,14,19-25H,7,10-11H2,1-2H3/t14-,19-,20-/m0/s1 |
| InChI Key | PRWONPKNTLADRL-GKCIPKSASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H26O8 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 129.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of (1S,2S)-2-[4-[(2S)-2,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)propane-1,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/853931d0-85c3-11ee-b082-9ba88284a13b.jpg "2D Structure of (1S,2S)-2-[4-[(2S)-2,3-dihydroxypropyl]-2-methoxyphenoxy]-1-(4-hydroxy-3-methoxyphenyl)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 | 98.72% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.28% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.67% | 85.14% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 93.88% | 90.20% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.30% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 90.65% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.85% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.43% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.41% | 99.15% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.94% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.68% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.78% | 86.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 84.48% | 91.11% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.32% | 90.24% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.11% | 95.56% |
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.
| Zantedeschia aethiopica |
| PubChem | 10572687 |
| LOTUS | LTS0085891 |
| wikiData | Q105213948 |