4-Methoxy-7-(7-methoxy-13-oxo-8,11-dioxatetracyclo[7.5.0.02,7.010,12]tetradec-1(14)-en-3-yl)-6-methylhepta-2,4,6-trienoic acid
| Internal ID | 5414f544-e3b5-4893-a48f-9677742a7f80 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids |
| IUPAC Name | 4-methoxy-7-(7-methoxy-13-oxo-8,11-dioxatetracyclo[7.5.0.02,7.010,12]tetradec-1(14)-en-3-yl)-6-methylhepta-2,4,6-trienoic acid |
| SMILES (Canonical) | CC(=CC1CCCC2(C1C3=CC(=O)C4C(C3O2)O4)OC)C=C(C=CC(=O)O)OC |
| SMILES (Isomeric) | CC(=CC1CCCC2(C1C3=CC(=O)C4C(C3O2)O4)OC)C=C(C=CC(=O)O)OC |
| InChI | InChI=1S/C22H26O7/c1-12(10-14(26-2)6-7-17(24)25)9-13-5-4-8-22(27-3)18(13)15-11-16(23)20-21(28-20)19(15)29-22/h6-7,9-11,13,18-21H,4-5,8H2,1-3H3,(H,24,25) |
| InChI Key | RQKNJGYAIPVGDR-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) | 94.60 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 4-Methoxy-7-(7-methoxy-13-oxo-8,11-dioxatetracyclo[7.5.0.02,7.010,12]tetradec-1(14)-en-3-yl)-6-methylhepta-2,4,6-trienoic acid](https://plantaedb.com/storage/docs/compounds/2023/11/8f0b0f40-83bc-11ee-b724-8589d7c03dfe.jpg "2D Structure of 4-Methoxy-7-(7-methoxy-13-oxo-8,11-dioxatetracyclo[7.5.0.02,7.010,12]tetradec-1(14)-en-3-yl)-6-methylhepta-2,4,6-trienoic acid")
| 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 | 98.99% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.02% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.96% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.34% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.05% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.87% | 99.23% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.44% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.42% | 98.95% |
| CHEMBL5028 | O14672 | ADAM10 | 84.48% | 97.50% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 84.39% | 91.19% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.60% | 97.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.08% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.94% | 89.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.89% | 91.07% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 81.47% | 93.04% |
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.
| Pieris japonica |
| Rhododendron formosanum |
| Shorea longisperma |
| Shorea robusta |
| PubChem | 74405763 |
| LOTUS | LTS0070312 |
| wikiData | Q105246304 |