2-(7-hydroxy-3,5-dimethyl-6-pent-3-enyl-2H-1-benzofuran-3-yl)-3,5-dimethyl-6-pent-3-enyl-1-benzofuran-7-ol
| Internal ID | d5344663-25b9-4474-8a2a-eeddbb66cfe8 |
| Taxonomy | Organoheterocyclic compounds > Benzofurans |
| IUPAC Name | 2-(7-hydroxy-3,5-dimethyl-6-pent-3-enyl-2H-1-benzofuran-3-yl)-3,5-dimethyl-6-pent-3-enyl-1-benzofuran-7-ol |
| SMILES (Canonical) | CC=CCCC1=C(C2=C(C=C1C)C(=C(O2)C3(COC4=C3C=C(C(=C4O)CCC=CC)C)C)C)O |
| SMILES (Isomeric) | CC=CCCC1=C(C2=C(C=C1C)C(=C(O2)C3(COC4=C3C=C(C(=C4O)CCC=CC)C)C)C)O |
| InChI | InChI=1S/C30H36O4/c1-7-9-11-13-21-18(3)15-23-20(5)29(34-27(23)25(21)31)30(6)17-33-28-24(30)16-19(4)22(26(28)32)14-12-10-8-2/h7-10,15-16,31-32H,11-14,17H2,1-6H3 |
| InChI Key | VFPMGMYCGMMUBR-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O4 |
| Molecular Weight | 460.60 g/mol |
| Exact Mass | 460.26135963 g/mol |
| Topological Polar Surface Area (TPSA) | 62.80 Ų |
| XlogP | 7.90 |
| There are no found synonyms. |
| 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 | 99.35% | 91.11% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 93.55% | 83.57% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.15% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.69% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.52% | 94.45% |
| CHEMBL233 | P35372 | Mu opioid receptor | 88.42% | 97.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.88% | 98.95% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 86.46% | 89.63% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.35% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.20% | 94.73% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 84.85% | 93.18% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.53% | 96.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.55% | 99.17% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.04% | 94.75% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 82.62% | 90.24% |
| CHEMBL4835 | P00338 | L-lactate dehydrogenase A chain | 81.78% | 95.34% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.60% | 97.21% |
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.
| Ligularia virgaurea |
| PubChem | 73409832 |
| LOTUS | LTS0198794 |
| wikiData | Q105285498 |