(1S,5S,10R)-6-[(4-hydroxy-3-methoxyphenyl)methylidene]-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradecane-7,13-dione
| Internal ID | 922c7aae-9746-4d9d-b469-225a8843fb15 |
| Taxonomy | Benzenoids > Phenols > Methoxyphenols |
| IUPAC Name | (1S,5S,10R)-6-[(4-hydroxy-3-methoxyphenyl)methylidene]-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradecane-7,13-dione |
| SMILES (Canonical) | COC1=C(C=CC(=C1)C=C2C3C45COC(=O)C4(CCO3)CC(C2=O)O5)O |
| SMILES (Isomeric) | COC1=C(C=CC(=C1)C=C2[C@H]3[C@]45COC(=O)[C@@]4(CCO3)CC(C2=O)O5)O |
| InChI | InChI=1S/C19H18O7/c1-23-13-7-10(2-3-12(13)20)6-11-15(21)14-8-18-4-5-24-16(11)19(18,26-14)9-25-17(18)22/h2-3,6-7,14,16,20H,4-5,8-9H2,1H3/t14?,16-,18+,19+/m0/s1 |
| InChI Key | CQSNWXGNQFOKPO-LBQOFGEDSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O7 |
| Molecular Weight | 358.30 g/mol |
| Exact Mass | 358.10525291 g/mol |
| Topological Polar Surface Area (TPSA) | 91.30 Ų |
| XlogP | 0.70 |
| There are no found synonyms. |
![2D Structure of (1S,5S,10R)-6-[(4-hydroxy-3-methoxyphenyl)methylidene]-4,9,12-trioxatetracyclo[6.5.1.01,10.05,10]tetradecane-7,13-dione](https://plantaedb.com/storage/docs/compounds/2023/11/f0762930-8482-11ee-9c51-41d208491649.jpg "2D Structure of (1S,5S,10R)-6-[(4-hydroxy-3-methoxyphenyl)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 | 99.37% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.46% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.46% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.36% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.75% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.38% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 88.40% | 90.71% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.90% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 87.01% | 97.14% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.61% | 85.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 86.45% | 96.61% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.39% | 91.03% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.01% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.69% | 92.94% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.30% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.02% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 83.54% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.32% | 89.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.69% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.77% | 98.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.32% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.46% | 99.15% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 80.29% | 97.28% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.25% | 98.75% |
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 | 101239052 |
| LOTUS | LTS0041456 |
| wikiData | Q104968225 |