10-(3,7-Dimethylocta-2,6-dienyl)-5,9,11-trihydroxy-3,3-dimethylpyrano[3,2-a]xanthen-12-one
| Internal ID | 5309b7e1-15d8-41e1-80e2-0d76a60a338b |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 2-prenylated xanthones |
| IUPAC Name | 10-(3,7-dimethylocta-2,6-dienyl)-5,9,11-trihydroxy-3,3-dimethylpyrano[3,2-a]xanthen-12-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C(=C3)O)OC(C=C4)(C)C)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C2=C(C=C1O)OC3=C(C2=O)C4=C(C(=C3)O)OC(C=C4)(C)C)O)C)C |
| InChI | InChI=1S/C28H30O6/c1-15(2)7-6-8-16(3)9-10-17-19(29)13-22-24(25(17)31)26(32)23-18-11-12-28(4,5)34-27(18)20(30)14-21(23)33-22/h7,9,11-14,29-31H,6,8,10H2,1-5H3 |
| InChI Key | VXBRNANXWNQRCY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C28H30O6 |
| Molecular Weight | 462.50 g/mol |
| Exact Mass | 462.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 7.20 |
| There are no found synonyms. |
![2D Structure of 10-(3,7-Dimethylocta-2,6-dienyl)-5,9,11-trihydroxy-3,3-dimethylpyrano[3,2-a]xanthen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/10-37-dimethylocta-26-dienyl-5911-trihydroxy-33-dimethylpyrano32-axanthen-12-one.jpg "2D Structure of 10-(3,7-Dimethylocta-2,6-dienyl)-5,9,11-trihydroxy-3,3-dimethylpyrano[3,2-a]xanthen-12-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.68% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.71% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.00% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.74% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.66% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.05% | 91.49% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.47% | 85.30% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.16% | 85.14% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 86.55% | 89.34% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.54% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.87% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.69% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.68% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.18% | 90.00% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.04% | 80.00% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.91% | 95.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.62% | 99.23% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.36% | 94.75% |
| CHEMBL5163 | Q9NY46 | Sodium channel protein type III alpha subunit | 80.45% | 96.90% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 80.27% | 91.38% |
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.
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| There are no matching plants. |
| PubChem | 72803258 |
| LOTUS | LTS0065363 |
| wikiData | Q105298409 |