(1S,5S,6E,8R,10R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradecane-7,13-dione
| Internal ID | 6526c38f-6f54-4cc6-b85c-9b079fcff645 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (1S,5S,6E,8R,10R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradecane-7,13-dione |
| SMILES (Canonical) | COC1=CC(=CC(=C1O)OC)C=C2C3C45COC(=O)C4(CCO3)CC(C2=O)O5 |
| SMILES (Isomeric) | COC1=CC(=CC(=C1O)OC)/C=C/2\[C@H]3[C@]45COC(=O)[C@@]4(CCO3)C[C@H](C2=O)O5 |
| InChI | InChI=1S/C20H20O8/c1-24-12-6-10(7-13(25-2)16(12)22)5-11-15(21)14-8-19-3-4-26-17(11)20(19,28-14)9-27-18(19)23/h5-7,14,17,22H,3-4,8-9H2,1-2H3/b11-5-/t14-,17+,19-,20-/m1/s1 |
| InChI Key | TUVALGATKQAMFP-JPHUJFDNSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20O8 |
| Molecular Weight | 388.40 g/mol |
| Exact Mass | 388.11581759 g/mol |
| Topological Polar Surface Area (TPSA) | 101.00 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of (1S,5S,6E,8R,10R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradecane-7,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/542a3d40-812d-11ee-b599-d7b484d70e44.jpg "2D Structure of (1S,5S,6E,8R,10R)-6-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradecane-7,13-dione")
| 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 | 99.25% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.09% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.68% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.44% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.23% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.44% | 89.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.35% | 94.45% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 90.91% | 96.61% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.39% | 92.62% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 87.43% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.43% | 100.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.26% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.73% | 94.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.00% | 91.03% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.78% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.08% | 98.95% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 82.49% | 83.57% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.92% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.37% | 95.89% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 81.07% | 97.28% |
| CHEMBL3194 | P02766 | Transthyretin | 81.04% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.83% | 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.
| Polygala fallax |
| PubChem | 21629584 |
| LOTUS | LTS0039854 |
| wikiData | Q105265064 |