7-[2-[4-(3,7-dimethylocta-2,6-dienyl)-3,5-dihydroxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol
| Internal ID | 84309b7e-7b92-4246-93fd-3e00ccd4e050 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthenes |
| IUPAC Name | 7-[2-[4-(3,7-dimethylocta-2,6-dienyl)-3,5-dihydroxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C35H46O6/c1-21(2)9-8-10-22(3)11-14-26-27(36)16-24(17-28(26)37)13-12-23-15-25-19-31-34(4,5)33(39)29(38)20-35(31,6)41-32(25)30(18-23)40-7/h9,11-13,15-18,29,31,33,36-39H,8,10,14,19-20H2,1-7H3 |
| InChI Key | UPTXDGJFJGCFDE-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C35H46O6 |
| Molecular Weight | 562.70 g/mol |
| Exact Mass | 562.32943918 g/mol |
| Topological Polar Surface Area (TPSA) | 99.40 Ų |
| XlogP | 7.80 |
| There are no found synonyms. |
![2D Structure of 7-[2-[4-(3,7-dimethylocta-2,6-dienyl)-3,5-dihydroxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol](https://plantaedb.com/storage/docs/compounds/2023/11/71dba4e0-8744-11ee-8ee8-9d176cbb0bba.jpg "2D Structure of 7-[2-[4-(3,7-dimethylocta-2,6-dienyl)-3,5-dihydroxyphenyl]ethenyl]-5-methoxy-1,1,4a-trimethyl-3,4,9,9a-tetrahydro-2H-xanthene-2,3-diol")
| 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 | 99.72% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.49% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.38% | 85.14% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 93.75% | 92.94% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 93.54% | 92.68% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.15% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.71% | 91.49% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.42% | 94.73% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.35% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.57% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 88.55% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.91% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.01% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.68% | 99.17% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.01% | 97.14% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 82.74% | 95.50% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.33% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 82.10% | 89.50% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 81.81% | 96.90% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.30% | 89.00% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 81.05% | 97.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.78% | 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.
| Macaranga schweinfurthii |
| PubChem | 5182 |
| LOTUS | LTS0084648 |
| wikiData | Q105276988 |