(9R)-5,9-dihydroxy-2,2-dimethyl-7,7-bis(3-methylbut-2-enyl)-9-(2-oxopropyl)pyrano[3,2-b]xanthene-6,8,10-trione
| Internal ID | cf2707c1-1ec8-4141-865a-e48507633a48 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | (9R)-5,9-dihydroxy-2,2-dimethyl-7,7-bis(3-methylbut-2-enyl)-9-(2-oxopropyl)pyrano[3,2-b]xanthene-6,8,10-trione |
| SMILES (Canonical) | CC(=CCC1(C2=C(C(=O)C(C1=O)(CC(=O)C)O)OC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)CC=C(C)C)C |
| SMILES (Isomeric) | CC(=CCC1(C2=C(C(=O)[C@](C1=O)(CC(=O)C)O)OC3=CC4=C(C=CC(O4)(C)C)C(=C3C2=O)O)CC=C(C)C)C |
| InChI | InChI=1S/C31H34O8/c1-16(2)8-12-30(13-9-17(3)4)23-25(34)22-21(14-20-19(24(22)33)10-11-29(6,7)39-20)38-26(23)27(35)31(37,28(30)36)15-18(5)32/h8-11,14,33,37H,12-13,15H2,1-7H3/t31-/m0/s1 |
| InChI Key | VDCUEILRTFTERJ-HKBQPEDESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C31H34O8 |
| Molecular Weight | 534.60 g/mol |
| Exact Mass | 534.22536804 g/mol |
| Topological Polar Surface Area (TPSA) | 127.00 Ų |
| XlogP | 5.50 |
| There are no found synonyms. |
![2D Structure of (9R)-5,9-dihydroxy-2,2-dimethyl-7,7-bis(3-methylbut-2-enyl)-9-(2-oxopropyl)pyrano[3,2-b]xanthene-6,8,10-trione](https://plantaedb.com/storage/docs/compounds/2023/11/b05db220-8562-11ee-9fee-f3f6a1e0a8c8.jpg "2D Structure of (9R)-5,9-dihydroxy-2,2-dimethyl-7,7-bis(3-methylbut-2-enyl)-9-(2-oxopropyl)pyrano[3,2-b]xanthene-6,8,10-trione")
| 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 | 99.39% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.85% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.66% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.92% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.47% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.23% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.34% | 86.33% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.18% | 94.42% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.00% | 99.23% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.43% | 85.30% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 83.61% | 92.29% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 83.40% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.07% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.11% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.86% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.63% | 89.34% |
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 oligantha |
| PubChem | 162883971 |
| LOTUS | LTS0106460 |
| wikiData | Q105284082 |