5,9,11-Trihydroxy-3,3-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-a]xanthen-12-one
| Internal ID | 21ec2dbc-ec86-4e6a-96ff-9cbdd25aeef2 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones > Pyranoxanthones |
| IUPAC Name | 5,9,11-trihydroxy-3,3-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-a]xanthen-12-one |
| SMILES (Canonical) | CC1(C=CC2=C(O1)C(=CC3=C2C(=O)C4=C(O3)C=C(C(=C4O)C(C)(C)C=C)O)O)C |
| SMILES (Isomeric) | CC1(C=CC2=C(O1)C(=CC3=C2C(=O)C4=C(O3)C=C(C(=C4O)C(C)(C)C=C)O)O)C |
| InChI | InChI=1S/C23H22O6/c1-6-22(2,3)18-12(24)9-15-17(20(18)27)19(26)16-11-7-8-23(4,5)29-21(11)13(25)10-14(16)28-15/h6-10,24-25,27H,1H2,2-5H3 |
| InChI Key | ABSJXNDYIGTGCH-UHFFFAOYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H22O6 |
| Molecular Weight | 394.40 g/mol |
| Exact Mass | 394.14163842 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.30 |
| There are no found synonyms. |
![2D Structure of 5,9,11-Trihydroxy-3,3-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[3,2-a]xanthen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/5911-trihydroxy-33-dimethyl-10-2-methylbut-3-en-2-ylpyrano32-axanthen-12-one.jpg "2D Structure of 5,9,11-Trihydroxy-3,3-dimethyl-10-(2-methylbut-3-en-2-yl)pyrano[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 | 98.77% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.04% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.76% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.28% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.79% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.43% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.53% | 94.45% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 87.06% | 95.71% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 86.35% | 94.42% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 85.12% | 80.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.28% | 100.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.40% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.14% | 94.00% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 81.72% | 85.11% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 81.49% | 89.34% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.08% | 80.78% |
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.
| Hypericum androsaemum |
| Maclura tricuspidata |
| PubChem | 101589679 |
| LOTUS | LTS0133822 |
| wikiData | Q104399340 |