5-(6-Hydroxy-1-benzofuran-2-yl)-4-(3-methylbut-1-enyl)benzene-1,3-diol
| Internal ID | d4fa7ecf-1381-4887-b80f-c5f60c7adcd0 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 5-(6-hydroxy-1-benzofuran-2-yl)-4-(3-methylbut-1-enyl)benzene-1,3-diol |
| SMILES (Canonical) | CC(C)C=CC1=C(C=C(C=C1O)O)C2=CC3=C(O2)C=C(C=C3)O |
| SMILES (Isomeric) | CC(C)C=CC1=C(C=C(C=C1O)O)C2=CC3=C(O2)C=C(C=C3)O |
| InChI | InChI=1S/C19H18O4/c1-11(2)3-6-15-16(8-14(21)9-17(15)22)19-7-12-4-5-13(20)10-18(12)23-19/h3-11,20-22H,1-2H3 |
| InChI Key | WAXPHYQLGHQVGD-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O4 |
| Molecular Weight | 310.30 g/mol |
| Exact Mass | 310.12050905 g/mol |
| Topological Polar Surface Area (TPSA) | 73.80 Ų |
| XlogP | 4.70 |
| 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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 96.37% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.82% | 91.11% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 92.20% | 98.35% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 91.46% | 99.15% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 89.83% | 90.24% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.44% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.44% | 95.56% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 89.05% | 90.71% |
| CHEMBL3194 | P02766 | Transthyretin | 87.48% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.15% | 89.00% |
| CHEMBL3359 | P21462 | Formyl peptide receptor 1 | 85.11% | 93.56% |
| CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 84.49% | 85.11% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 84.04% | 83.10% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 83.35% | 93.99% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 82.74% | 93.10% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.59% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.10% | 89.62% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 81.73% | 94.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.06% | 96.95% |
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 heterophyllus |
| PubChem | 162965093 |
| LOTUS | LTS0140087 |
| wikiData | Q103817095 |