5-Methoxy-9-methyl-3-prop-2-enyl-8-(3,4,5-trimethoxyphenyl)-6-oxabicyclo[3.2.2]non-3-ene-2,7-dione
| Internal ID | b550b7f0-2e94-425d-8853-c0865d78b85f |
| Taxonomy | Benzenoids > Phenol ethers > Anisoles |
| IUPAC Name | 5-methoxy-9-methyl-3-prop-2-enyl-8-(3,4,5-trimethoxyphenyl)-6-oxabicyclo[3.2.2]non-3-ene-2,7-dione |
| SMILES (Canonical) | CC1C(C2C(=O)C(=CC1(OC2=O)OC)CC=C)C3=CC(=C(C(=C3)OC)OC)OC |
| SMILES (Isomeric) | CC1C(C2C(=O)C(=CC1(OC2=O)OC)CC=C)C3=CC(=C(C(=C3)OC)OC)OC |
| InChI | InChI=1S/C22H26O7/c1-7-8-13-11-22(28-6)12(2)17(18(19(13)23)21(24)29-22)14-9-15(25-3)20(27-5)16(10-14)26-4/h7,9-12,17-18H,1,8H2,2-6H3 |
| InChI Key | JWNHURXHTXBLMC-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O7 |
| Molecular Weight | 402.40 g/mol |
| Exact Mass | 402.16785316 g/mol |
| Topological Polar Surface Area (TPSA) | 80.30 Ų |
| XlogP | 3.30 |
| There are no found synonyms. |
![2D Structure of 5-Methoxy-9-methyl-3-prop-2-enyl-8-(3,4,5-trimethoxyphenyl)-6-oxabicyclo[3.2.2]non-3-ene-2,7-dione](https://plantaedb.com/storage/docs/compounds/2023/11/5-methoxy-9-methyl-3-prop-2-enyl-8-345-trimethoxyphenyl-6-oxabicyclo322non-3-ene-27-dione.jpg "2D Structure of 5-Methoxy-9-methyl-3-prop-2-enyl-8-(3,4,5-trimethoxyphenyl)-6-oxabicyclo[3.2.2]non-3-ene-2,7-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.75% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.31% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.54% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.75% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.55% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.39% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.64% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 84.46% | 91.07% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 82.89% | 96.00% |
| CHEMBL3572 | P11597 | Cholesteryl ester transfer protein | 82.71% | 92.67% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.67% | 82.38% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.28% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.19% | 94.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 82.03% | 96.86% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.68% | 97.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.23% | 98.95% |
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 |
| Nectandra amazonum |
| PubChem | 85190303 |
| LOTUS | LTS0268457 |
| wikiData | Q105189067 |