2-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-4,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-1-one
| Internal ID | 55913166-437a-4b4a-9eee-6033632f82cb |
| Taxonomy | Organoheterocyclic compounds > Benzofurans > Phenylbenzofurans |
| IUPAC Name | 2-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-4,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-1-one |
| SMILES (Canonical) | COC1=CC(=O)C(=CC1(CC=CC2=CC=CC=C2)OC)CC3=C(C4=CC(=C(C=C4O3)OC)O)C5=CC=CC=C5 |
| SMILES (Isomeric) | COC1=CC(=O)C(=CC1(C/C=C/C2=CC=CC=C2)OC)CC3=C(C4=CC(=C(C=C4O3)OC)O)C5=CC=CC=C5 |
| InChI | InChI=1S/C33H30O6/c1-36-29-20-28-25(18-27(29)35)32(23-14-8-5-9-15-23)30(39-28)17-24-21-33(38-3,31(37-2)19-26(24)34)16-10-13-22-11-6-4-7-12-22/h4-15,18-21,35H,16-17H2,1-3H3/b13-10+ |
| InChI Key | TZBPQIOKLWLNNI-JLHYYAGUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C33H30O6 |
| Molecular Weight | 522.60 g/mol |
| Exact Mass | 522.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 78.10 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 2-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-4,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-1-one](https://plantaedb.com/storage/docs/compounds/2023/11/7f0802e0-84ab-11ee-9ce1-5f19705257d1.jpg "2D Structure of 2-[(5-hydroxy-6-methoxy-3-phenyl-1-benzofuran-2-yl)methyl]-4,5-dimethoxy-4-[(E)-3-phenylprop-2-enyl]cyclohexa-2,5-dien-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.80% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.06% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.02% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.72% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.26% | 93.99% |
| CHEMBL240 | Q12809 | HERG | 95.13% | 89.76% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 95.10% | 96.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.15% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.83% | 85.14% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 92.08% | 95.50% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.65% | 99.15% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 89.14% | 91.71% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 88.75% | 94.03% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.10% | 99.17% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 85.21% | 94.23% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.19% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.62% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 83.88% | 94.45% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.45% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 82.28% | 96.09% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 80.18% | 80.78% |
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.
| Dalbergia cochinchinensis |
| Hypericum prolificum |
| PubChem | 10052458 |
| LOTUS | LTS0072438 |
| wikiData | Q105205322 |