(2R)-2-methyl-1-[1,3,7,9-tetrahydroxy-4-[(2R)-2-hydroxy-3-methylbut-3-enyl]-6-[(2R)-2-methylbutanoyl]-8-(3-methylbut-2-enyl)dibenzofuran-2-yl]butan-1-one
| Internal ID | 1a2205c3-5766-447c-adcd-cb9c43fa93a2 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Dibenzofurans |
| IUPAC Name | (2R)-2-methyl-1-[1,3,7,9-tetrahydroxy-4-[(2R)-2-hydroxy-3-methylbut-3-enyl]-6-[(2R)-2-methylbutanoyl]-8-(3-methylbut-2-enyl)dibenzofuran-2-yl]butan-1-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C32H40O8/c1-9-16(7)25(34)23-29(38)19(13-20(33)15(5)6)31-22(30(23)39)21-27(36)18(12-11-14(3)4)28(37)24(32(21)40-31)26(35)17(8)10-2/h11,16-17,20,33,36-39H,5,9-10,12-13H2,1-4,6-8H3/t16-,17-,20-/m1/s1 |
| InChI Key | WXPMFVVMYYHSEH-MBOZVWFJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H40O8 |
| Molecular Weight | 552.70 g/mol |
| Exact Mass | 552.27231823 g/mol |
| Topological Polar Surface Area (TPSA) | 148.00 Ų |
| XlogP | 8.30 |
| There are no found synonyms. |
![2D Structure of (2R)-2-methyl-1-[1,3,7,9-tetrahydroxy-4-[(2R)-2-hydroxy-3-methylbut-3-enyl]-6-[(2R)-2-methylbutanoyl]-8-(3-methylbut-2-enyl)dibenzofuran-2-yl]butan-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/58aca0e0-86a2-11ee-a657-b1d59056f133.jpg "2D Structure of (2R)-2-methyl-1-[1,3,7,9-tetrahydroxy-4-[(2R)-2-hydroxy-3-methylbut-3-enyl]-6-[(2R)-2-methylbutanoyl]-8-(3-methylbut-2-enyl)dibenzofuran-2-yl]butan-1-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 |
|---|---|---|---|---|
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 97.18% | 89.34% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.13% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.45% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.07% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.33% | 94.45% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 93.37% | 97.21% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.55% | 94.73% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 87.34% | 96.95% |
| CHEMBL3286 | P00749 | Urokinase-type plasminogen activator | 84.16% | 97.88% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.10% | 89.00% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 82.55% | 95.64% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.44% | 100.00% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 81.04% | 89.50% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.02% | 92.29% |
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.
| Achyrocline satureioides |
| PubChem | 162896613 |
| LOTUS | LTS0223847 |
| wikiData | Q105314819 |