2-(3,7-Dimethylocta-2,6-dienyl)-5-(6-hydroxy-1-benzofuran-2-yl)-4-(3-methylbut-2-enyl)benzene-1,3-diol
| Internal ID | 7e95d542-c777-4365-9d52-424df5af87f0 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 2-(3,7-dimethylocta-2,6-dienyl)-5-(6-hydroxy-1-benzofuran-2-yl)-4-(3-methylbut-2-enyl)benzene-1,3-diol |
| SMILES (Canonical) | CC(=CCCC(=CCC1=C(C=C(C(=C1O)CC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)O)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC1=C(C=C(C(=C1O)CC=C(C)C)C2=CC3=C(O2)C=C(C=C3)O)O)C)C |
| InChI | InChI=1S/C29H34O4/c1-18(2)7-6-8-20(5)10-14-24-26(31)17-25(23(29(24)32)13-9-19(3)4)28-15-21-11-12-22(30)16-27(21)33-28/h7,9-12,15-17,30-32H,6,8,13-14H2,1-5H3 |
| InChI Key | DXPXODNTDYQKTG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C29H34O4 |
| Molecular Weight | 446.60 g/mol |
| Exact Mass | 446.24570956 g/mol |
| Topological Polar Surface Area (TPSA) | 73.80 Ų |
| XlogP | 8.60 |
| 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 | 98.65% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.70% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.60% | 94.73% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 92.75% | 92.08% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 90.40% | 93.10% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 89.62% | 83.57% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.37% | 99.17% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.20% | 96.95% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 87.62% | 95.64% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.88% | 90.71% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 86.33% | 91.49% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.16% | 86.33% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 85.48% | 97.21% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.80% | 99.15% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.39% | 90.00% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.79% | 85.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.81% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 81.24% | 94.00% |
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.
| Artocarpus petelotii |
| Canthium berberidifolium |
| Phlomis brunneogaleata |
| Salvia officinalis |
| PubChem | 162924996 |
| LOTUS | LTS0155596 |
| wikiData | Q105347385 |