[(2-Methoxyphenoxy)-[4-[(2-methoxyphenoxy)methyl]-5-oxooxolan-3-yl]methyl] 4-hydroxy-3-methoxybenzoate
| Internal ID | c42d3a6e-2c70-4e0a-a016-97e12ce8eeba |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzoic acids and derivatives > Methoxybenzoic acids and derivatives > M-methoxybenzoic acids and derivatives |
| IUPAC Name | [(2-methoxyphenoxy)-[4-[(2-methoxyphenoxy)methyl]-5-oxooxolan-3-yl]methyl] 4-hydroxy-3-methoxybenzoate |
| SMILES (Canonical) | COC1=CC=CC=C1OCC2C(COC2=O)C(OC3=CC=CC=C3OC)OC(=O)C4=CC(=C(C=C4)O)OC |
| SMILES (Isomeric) | COC1=CC=CC=C1OCC2C(COC2=O)C(OC3=CC=CC=C3OC)OC(=O)C4=CC(=C(C=C4)O)OC |
| InChI | InChI=1S/C28H28O10/c1-32-21-8-4-6-10-23(21)35-15-18-19(16-36-27(18)31)28(37-24-11-7-5-9-22(24)33-2)38-26(30)17-12-13-20(29)25(14-17)34-3/h4-14,18-19,28-29H,15-16H2,1-3H3 |
| InChI Key | BKZSDDOGLKIUHH-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H28O10 |
| Molecular Weight | 524.50 g/mol |
| Exact Mass | 524.16824709 g/mol |
| Topological Polar Surface Area (TPSA) | 119.00 Ų |
| XlogP | 4.70 |
| There are no found synonyms. |
![2D Structure of [(2-Methoxyphenoxy)-[4-[(2-methoxyphenoxy)methyl]-5-oxooxolan-3-yl]methyl] 4-hydroxy-3-methoxybenzoate](https://plantaedb.com/storage/docs/compounds/2023/11/bf797160-858f-11ee-ae67-036f2e421335.jpg "2D Structure of [(2-Methoxyphenoxy)-[4-[(2-methoxyphenoxy)methyl]-5-oxooxolan-3-yl]methyl] 4-hydroxy-3-methoxybenzoate")
| 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 | 98.94% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 96.10% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.28% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.64% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.98% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.93% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.43% | 95.56% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.17% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.30% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.05% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.09% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.34% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.32% | 93.99% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.03% | 96.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.75% | 97.14% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.82% | 97.21% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 82.71% | 96.61% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 82.23% | 92.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.03% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.86% | 95.89% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.83% | 99.23% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.08% | 95.50% |
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.
| Abies nephrolepis |
| PubChem | 162970932 |
| LOTUS | LTS0201802 |
| wikiData | Q104937856 |