7-(3,7-Dimethylocta-2,6-dienyl)-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one
| Internal ID | 55fedee4-febd-432e-ae9a-02f5d1523b05 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > 8-prenylated xanthones |
| IUPAC Name | 7-(3,7-dimethylocta-2,6-dienyl)-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C(C4)O)(C)C)O)O)OC)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C(=CC2=C1C(=O)C3=C(C4=C(C=C3O2)OC(C(C4)O)(C)C)O)O)OC)C)C |
| InChI | InChI=1S/C29H34O7/c1-15(2)8-7-9-16(3)10-11-17-24-21(13-19(30)28(17)34-6)35-22-14-20-18(26(32)25(22)27(24)33)12-23(31)29(4,5)36-20/h8,10,13-14,23,30-32H,7,9,11-12H2,1-6H3 |
| InChI Key | SZJVILSJACSJTP-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H34O7 |
| Molecular Weight | 494.60 g/mol |
| Exact Mass | 494.23045342 g/mol |
| Topological Polar Surface Area (TPSA) | 105.00 Ų |
| XlogP | 6.60 |
| There are no found synonyms. |
![2D Structure of 7-(3,7-Dimethylocta-2,6-dienyl)-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-one](https://plantaedb.com/storage/docs/compounds/2023/11/d13285e0-8577-11ee-8b02-a952a8367416.jpg "2D Structure of 7-(3,7-Dimethylocta-2,6-dienyl)-3,5,9-trihydroxy-8-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-b]xanthen-6-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 | 99.89% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.00% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.57% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 91.88% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.66% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.55% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.36% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.25% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.76% | 99.17% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.94% | 94.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 86.52% | 85.30% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.81% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.77% | 92.94% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.47% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.89% | 95.89% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.73% | 92.68% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 82.37% | 94.75% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 82.15% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.55% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.38% | 97.09% |
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.
| Garcinia fusca |
| PubChem | 85391964 |
| LOTUS | LTS0172585 |
| wikiData | Q105264179 |