(1R,8R,10R,11S)-3-methoxy-11-methyl-10-(3,4,5-trimethoxyphenyl)-7-oxatricyclo[6.3.1.01,6]dodeca-2,5-dien-4-one
| Internal ID | c47c737e-ad0e-4fe0-a361-cc5a80912569 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | (1R,8R,10R,11S)-3-methoxy-11-methyl-10-(3,4,5-trimethoxyphenyl)-7-oxatricyclo[6.3.1.01,6]dodeca-2,5-dien-4-one |
| SMILES (Canonical) | CC1C(CC2CC13C=C(C(=O)C=C3O2)OC)C4=CC(=C(C(=C4)OC)OC)OC |
| SMILES (Isomeric) | C[C@H]1[C@@H](C[C@@H]2C[C@]13C=C(C(=O)C=C3O2)OC)C4=CC(=C(C(=C4)OC)OC)OC |
| InChI | InChI=1S/C22H26O6/c1-12-15(13-6-17(24-2)21(27-5)18(7-13)25-3)8-14-10-22(12)11-19(26-4)16(23)9-20(22)28-14/h6-7,9,11-12,14-15H,8,10H2,1-5H3/t12-,14+,15+,22-/m0/s1 |
| InChI Key | JXWKCIXVIBYKKR-YVLOBAKFSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O6 |
| Molecular Weight | 386.40 g/mol |
| Exact Mass | 386.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 63.20 Ų |
| XlogP | 3.60 |
| There are no found synonyms. |
![2D Structure of (1R,8R,10R,11S)-3-methoxy-11-methyl-10-(3,4,5-trimethoxyphenyl)-7-oxatricyclo[6.3.1.01,6]dodeca-2,5-dien-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2953adc0-879f-11ee-a822-3b955cb0489e.jpg "2D Structure of (1R,8R,10R,11S)-3-methoxy-11-methyl-10-(3,4,5-trimethoxyphenyl)-7-oxatricyclo[6.3.1.01,6]dodeca-2,5-dien-4-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.74% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.82% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.60% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.75% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.20% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.22% | 95.56% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 90.92% | 97.14% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 90.36% | 94.03% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.59% | 98.75% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.52% | 97.25% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.46% | 96.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.19% | 94.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 84.21% | 97.21% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.70% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.26% | 89.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.73% | 90.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.56% | 92.98% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.85% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.44% | 92.94% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.39% | 96.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.24% | 90.71% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.97% | 82.38% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.57% | 100.00% |
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.
| Magnolia denudata |
| PubChem | 162861498 |
| LOTUS | LTS0073367 |
| wikiData | Q105136835 |