4,6-Bis(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
| Internal ID | 08daada0-ea8c-44c3-9528-11a1e4d51703 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4,6-bis(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C(=C(C=C1O)O)CC=C(C)CCC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C(=C(C=C1O)O)CC=C(C)CCC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)C)C |
| InChI | InChI=1S/C34H42O4/c1-22(2)9-7-11-24(5)13-17-28-30(36)21-31(37)29(18-14-25(6)12-8-10-23(3)4)34(28)33-19-26-15-16-27(35)20-32(26)38-33/h9-10,13-16,19-21,35-37H,7-8,11-12,17-18H2,1-6H3 |
| InChI Key | OVUSTWLJYDNBQM-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C34H42O4 |
| Molecular Weight | 514.70 g/mol |
| Exact Mass | 514.30830982 g/mol |
| Topological Polar Surface Area (TPSA) | 73.80 Ų |
| XlogP | 10.50 |
| 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 | 98.77% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.64% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 94.12% | 92.08% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.47% | 98.95% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.34% | 93.10% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.03% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.85% | 90.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 85.09% | 85.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.75% | 90.71% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.64% | 94.45% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.01% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.77% | 86.33% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 82.41% | 91.38% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.21% | 97.21% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.02% | 96.95% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 81.95% | 95.00% |
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.
| Morus cathayana |
| PubChem | 74932298 |
| LOTUS | LTS0157682 |
| wikiData | Q105201436 |