6-Allyl-7-(3,4-dimethoxyphenyl)-2,3-dimethoxy-8-methyl-tricyclo[4.2.0.0(2,8)]oct-3-en-5-one
| Internal ID | 61cfa38f-2adf-4077-94f3-c5db4d75bf91 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Methoxybenzenes > Dimethoxybenzenes |
| IUPAC Name | 7-(3,4-dimethoxyphenyl)-2,3-dimethoxy-8-methyl-6-prop-2-enyltricyclo[4.2.0.02,8]oct-3-en-5-one |
| SMILES (Canonical) | CC12C(C3(C1C2(C(=CC3=O)OC)OC)CC=C)C4=CC(=C(C=C4)OC)OC |
| SMILES (Isomeric) | CC12C(C3(C1C2(C(=CC3=O)OC)OC)CC=C)C4=CC(=C(C=C4)OC)OC |
| InChI | InChI=1S/C22H26O5/c1-7-10-21-16(23)12-17(26-5)22(27-6)19(21)20(22,2)18(21)13-8-9-14(24-3)15(11-13)25-4/h7-9,11-12,18-19H,1,10H2,2-6H3 |
| InChI Key | FTWXMNGOSVPJRM-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C22H26O5 |
| Molecular Weight | 370.40 g/mol |
| Exact Mass | 370.17802393 g/mol |
| Topological Polar Surface Area (TPSA) | 54.00 Ų |
| XlogP | 2.60 |
| 6-allyl-7-(3,4-dimethoxyphenyl)-2,3-dimethoxy-8-methyl-tricyclo[4.2.0.0(2,8)]oct-3-en-5-one |
![2D Structure of 6-Allyl-7-(3,4-dimethoxyphenyl)-2,3-dimethoxy-8-methyl-tricyclo[4.2.0.0(2,8)]oct-3-en-5-one](https://plantaedb.com/storage/docs/compounds/2023/11/6-allyl-7-34-dimethoxyphenyl-23-dimethoxy-8-methyl-tricyclo420028oct-3-en-5-one.jpg "2D Structure of 6-Allyl-7-(3,4-dimethoxyphenyl)-2,3-dimethoxy-8-methyl-tricyclo[4.2.0.0(2,8)]oct-3-en-5-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 | 94.91% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.26% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.79% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.44% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.85% | 98.95% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 90.08% | 92.38% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.18% | 86.33% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.42% | 92.94% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.83% | 94.45% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 85.63% | 96.00% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 85.03% | 96.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.48% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.76% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.05% | 97.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 82.71% | 86.92% |
| CHEMBL3524 | P56524 | Histone deacetylase 4 | 82.13% | 92.97% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.07% | 94.75% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 80.96% | 91.49% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 80.91% | 97.05% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.14% | 85.49% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 80.13% | 90.20% |
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 | 72953413 |
| LOTUS | LTS0200545 |
| wikiData | Q105001437 |