[4-[2-[4-Hydroxy-5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]acetyl]-2-methoxyphenyl] acetate
| Internal ID | 0e686dea-1293-4bb2-89d9-f50755812d2b |
| Taxonomy | Phenylpropanoids and polyketides > Diarylheptanoids > Linear diarylheptanoids |
| IUPAC Name | [4-[2-[4-hydroxy-5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]acetyl]-2-methoxyphenyl] acetate |
| SMILES (Canonical) | CC(=O)OC1=C(C=C(C=C1)C(=O)CC2CC(C(O2)CC3=CC(=C(C=C3)O)OC)O)OC |
| SMILES (Isomeric) | CC(=O)OC1=C(C=C(C=C1)C(=O)CC2CC(C(O2)CC3=CC(=C(C=C3)O)OC)O)OC |
| InChI | InChI=1S/C23H26O8/c1-13(24)30-20-7-5-15(10-23(20)29-3)18(26)11-16-12-19(27)22(31-16)9-14-4-6-17(25)21(8-14)28-2/h4-8,10,16,19,22,25,27H,9,11-12H2,1-3H3 |
| InChI Key | CDAYVZMQSSXTQP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O8 |
| Molecular Weight | 430.40 g/mol |
| Exact Mass | 430.16276778 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of [4-[2-[4-Hydroxy-5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]acetyl]-2-methoxyphenyl] acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-2-4-hydroxy-5-4-hydroxy-3-methoxyphenylmethyloxolan-2-ylacetyl-2-methoxyphenyl-acetate.jpg "2D Structure of [4-[2-[4-Hydroxy-5-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-yl]acetyl]-2-methoxyphenyl] acetate")
| 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 | 97.03% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.39% | 91.11% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 94.34% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.66% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.39% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.96% | 90.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 91.33% | 95.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.92% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.66% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 88.85% | 92.62% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.53% | 97.21% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.59% | 91.19% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.85% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.58% | 98.75% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.11% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.09% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.03% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 82.79% | 90.71% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.10% | 97.14% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.39% | 90.20% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.16% | 97.09% |
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.
| Renealmia alpinia |
| PubChem | 162848935 |
| LOTUS | LTS0210955 |
| wikiData | Q104954092 |