Threo,threo-1-[4-(2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy)-3-methoxyphenyl]-1,2,3-propanetriol
| Internal ID | 63e12a21-64f2-4d8d-a3ad-30424cde2574 |
| Taxonomy | Lignans, neolignans and related compounds |
| IUPAC Name | 1-[4-[1,3-dihydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]oxy-3-methoxyphenyl]propane-1,2,3-triol |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C(C(CO)OC2=C(C=C(C=C2)C(C(CO)O)O)OC)O)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C(C(CO)OC2=C(C=C(C=C2)C(C(CO)O)O)OC)O)O |
| InChI | InChI=1S/C20H26O9/c1-27-16-7-12(3-5-13(16)23)20(26)18(10-22)29-15-6-4-11(8-17(15)28-2)19(25)14(24)9-21/h3-8,14,18-26H,9-10H2,1-2H3 |
| InChI Key | BWUZZVCYDQUXQD-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H26O9 |
| Molecular Weight | 410.40 g/mol |
| Exact Mass | 410.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 149.00 Ų |
| XlogP | -0.40 |
| There are no found synonyms. |
![2D Structure of Threo,threo-1-[4-(2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy)-3-methoxyphenyl]-1,2,3-propanetriol](https://plantaedb.com/storage/docs/compounds/2023/11/f5311cd0-841c-11ee-92b6-73cb9c830e5b.jpg "2D Structure of Threo,threo-1-[4-(2-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-1-(hydroxymethyl)ethoxy)-3-methoxyphenyl]-1,2,3-propanetriol")
| 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 | 98.55% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.23% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.30% | 85.14% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 91.65% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.38% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.66% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.85% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.74% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.30% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 86.91% | 90.20% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.07% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.80% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.91% | 96.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 82.51% | 94.45% |
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 | 76417856 |
| LOTUS | LTS0229969 |
| wikiData | Q104947693 |