[(2R,3S)-7-hydroxy-2-(3-hydroxy-5-methoxyphenyl)-9-methoxy-2,3,4,5-tetrahydronaphtho[2,1-e][1]benzofuran-3-yl]methyl acetate
| Internal ID | f016e99c-059a-4983-8394-5634a989d2c5 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | [(2R,3S)-7-hydroxy-2-(3-hydroxy-5-methoxyphenyl)-9-methoxy-2,3,4,5-tetrahydronaphtho[2,1-e][1]benzofuran-3-yl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1C(OC2=C1C3=C(C=C2)C4=C(CC3)C=C(C=C4OC)O)C5=CC(=CC(=C5)OC)O |
| SMILES (Isomeric) | CC(=O)OC[C@H]1[C@@H](OC2=C1C3=C(C=C2)C4=C(CC3)C=C(C=C4OC)O)C5=CC(=CC(=C5)OC)O |
| InChI | InChI=1S/C27H26O7/c1-14(28)33-13-22-26-21-5-4-15-8-18(30)12-24(32-3)25(15)20(21)6-7-23(26)34-27(22)16-9-17(29)11-19(10-16)31-2/h6-12,22,27,29-30H,4-5,13H2,1-3H3/t22-,27+/m1/s1 |
| InChI Key | WXWSVLIALIBTJH-AMGIVPHBSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C27H26O7 |
| Molecular Weight | 462.50 g/mol |
| Exact Mass | 462.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 94.40 Ų |
| XlogP | 4.30 |
| There are no found synonyms. |
![2D Structure of [(2R,3S)-7-hydroxy-2-(3-hydroxy-5-methoxyphenyl)-9-methoxy-2,3,4,5-tetrahydronaphtho[2,1-e][1]benzofuran-3-yl]methyl acetate](https://plantaedb.com/storage/docs/compounds/2023/11/c93a07e0-8710-11ee-94bf-f701ba8dc343.jpg "2D Structure of [(2R,3S)-7-hydroxy-2-(3-hydroxy-5-methoxyphenyl)-9-methoxy-2,3,4,5-tetrahydronaphtho[2,1-e][1]benzofuran-3-yl]methyl 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.97% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.79% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.38% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.80% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.67% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.22% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 93.65% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.96% | 98.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.64% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.32% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.53% | 94.45% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.97% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 85.91% | 92.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.04% | 94.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.95% | 91.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.69% | 97.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.60% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.49% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.14% | 89.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 81.15% | 91.19% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.74% | 89.50% |
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.
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| There are no matching plants. |
| PubChem | 102097659 |
| LOTUS | LTS0105285 |
| wikiData | Q105321823 |