1-(3,7-Dimethylocta-2,6-dienyl)-3,8-dihydroxy-6-methoxy-1,5-bis(3-methylbut-2-enyl)xanthene-2,9-dione
| Internal ID | 215cf192-5c19-4899-af59-70ffb3a69564 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 1-(3,7-dimethylocta-2,6-dienyl)-3,8-dihydroxy-6-methoxy-1,5-bis(3-methylbut-2-enyl)xanthene-2,9-dione |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C34H42O6/c1-20(2)10-9-11-23(7)15-17-34(16-14-22(5)6)30-28(19-26(36)33(34)38)40-32-24(13-12-21(3)4)27(39-8)18-25(35)29(32)31(30)37/h10,12,14-15,18-19,35-36H,9,11,13,16-17H2,1-8H3 |
| InChI Key | FJLWRWKTILQEIK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H42O6 |
| Molecular Weight | 546.70 g/mol |
| Exact Mass | 546.29813906 g/mol |
| Topological Polar Surface Area (TPSA) | 93.10 Ų |
| XlogP | 9.10 |
| There are no found synonyms. |
| 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 | 99.29% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.19% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.83% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.69% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.63% | 94.73% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.44% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.94% | 95.56% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 90.73% | 92.08% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.05% | 85.14% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.54% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.16% | 94.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 89.01% | 85.30% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.42% | 89.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.33% | 93.99% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 88.32% | 90.20% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 86.87% | 96.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.73% | 96.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.76% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.25% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.83% | 98.75% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.54% | 97.21% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 81.28% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.28% | 95.89% |
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.
| Hypericum monogynum |
| PubChem | 163045828 |
| LOTUS | LTS0071193 |
| wikiData | Q104996211 |