15-(4,4-Dimethoxy-3-methylbut-2-enyl)-7-(3,7-dimethylocta-2,6-dienyl)-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione
| Internal ID | 753e745f-2b5d-4036-84db-8a10ea9f8d6f |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 15-(4,4-dimethoxy-3-methylbut-2-enyl)-7-(3,7-dimethylocta-2,6-dienyl)-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=CC4CC5C3(O2)C(C4=O)(OC5(C)C)CC=C(C)C(OC)OC)CC=C(C)C)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C(=C2C(=C1O)C(=O)C3=CC4CC5C3(O2)C(C4=O)(OC5(C)C)CC=C(C)C(OC)OC)CC=C(C)C)O)C)C |
| InChI | InChI=1S/C40H52O8/c1-22(2)12-11-13-24(5)15-17-27-32(41)28(16-14-23(3)4)35-31(33(27)42)34(43)29-20-26-21-30-38(7,8)48-39(36(26)44,40(29,30)47-35)19-18-25(6)37(45-9)46-10/h12,14-15,18,20,26,30,37,41-42H,11,13,16-17,19,21H2,1-10H3 |
| InChI Key | GGGKTEHQXPLSER-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C40H52O8 |
| Molecular Weight | 660.80 g/mol |
| Exact Mass | 660.36621861 g/mol |
| Topological Polar Surface Area (TPSA) | 112.00 Ų |
| XlogP | 8.50 |
| There are no found synonyms. |
![2D Structure of 15-(4,4-Dimethoxy-3-methylbut-2-enyl)-7-(3,7-dimethylocta-2,6-dienyl)-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione](https://plantaedb.com/storage/docs/compounds/2023/11/d6f1b400-8687-11ee-abe7-ef933bef49b6.jpg "2D Structure of 15-(4,4-Dimethoxy-3-methylbut-2-enyl)-7-(3,7-dimethylocta-2,6-dienyl)-6,8-dihydroxy-17,17-dimethyl-5-(3-methylbut-2-enyl)-3,16-dioxapentacyclo[11.4.1.02,11.02,15.04,9]octadeca-4,6,8,11-tetraene-10,14-dione")
| 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 | 99.74% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.39% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.48% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.45% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.77% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.58% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.50% | 94.73% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 90.37% | 92.68% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 89.20% | 97.21% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 88.77% | 99.23% |
| CHEMBL284 | P27487 | Dipeptidyl peptidase IV | 87.13% | 95.69% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.91% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.62% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.50% | 95.56% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.81% | 100.00% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.15% | 85.30% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.80% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.61% | 96.00% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.00% | 91.19% |
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 hanburyi |
| PubChem | 85174915 |
| LOTUS | LTS0131863 |
| wikiData | Q105008030 |