[(2S,3S,4S)-4-hydroxy-2-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methyl 3,4-dimethoxybenzoate
| Internal ID | 2fbe066f-6833-4953-ac46-7389055805d0 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > P-methoxybenzoic acids and derivatives |
| IUPAC Name | [(2S,3S,4S)-4-hydroxy-2-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methyl 3,4-dimethoxybenzoate |
| SMILES (Canonical) | COC1=C(C=C(C=C1)C(=O)OCC2C(COC2C3=CC(=C(C(=C3)OC)OC)OC)O)OC |
| SMILES (Isomeric) | COC1=C(C=C(C=C1)C(=O)OC[C@H]2[C@@H](CO[C@@H]2C3=CC(=C(C(=C3)OC)OC)OC)O)OC |
| InChI | InChI=1S/C23H28O9/c1-26-17-7-6-13(8-18(17)27-2)23(25)32-11-15-16(24)12-31-21(15)14-9-19(28-3)22(30-5)20(10-14)29-4/h6-10,15-16,21,24H,11-12H2,1-5H3/t15-,16+,21+/m0/s1 |
| InChI Key | JPTCYNOREVRAKD-GCKMJXCFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H28O9 |
| Molecular Weight | 448.50 g/mol |
| Exact Mass | 448.17333247 g/mol |
| Topological Polar Surface Area (TPSA) | 102.00 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of [(2S,3S,4S)-4-hydroxy-2-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methyl 3,4-dimethoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/2s3s4s-4-hydroxy-2-345-trimethoxyphenyloxolan-3-ylmethyl-34-dimethoxybenzoate.jpg "2D Structure of [(2S,3S,4S)-4-hydroxy-2-(3,4,5-trimethoxyphenyl)oxolan-3-yl]methyl 3,4-dimethoxybenzoate")
| 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 | 97.72% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.99% | 99.17% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.38% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.29% | 86.33% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.45% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.21% | 98.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.05% | 97.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.73% | 90.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.15% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.54% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.23% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.79% | 91.19% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.70% | 92.98% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 83.61% | 97.21% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.49% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.22% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.90% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 81.84% | 97.50% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.75% | 97.14% |
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.
| Magnolia biondii |
| PubChem | 25233913 |
| LOTUS | LTS0073085 |
| wikiData | Q105133153 |