4-(3-Methyl-5-prop-1-enyl-1-benzofuran-2-yl)-2-[3-(3-methyl-5-prop-1-enyl-1-benzofuran-2-yl)phenoxy]phenol
| Internal ID | 9eb7cdb7-da2b-4901-ac59-4115a9c537ac |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4-(3-methyl-5-prop-1-enyl-1-benzofuran-2-yl)-2-[3-(3-methyl-5-prop-1-enyl-1-benzofuran-2-yl)phenoxy]phenol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C36H30O4/c1-5-8-24-12-16-32-29(18-24)22(3)35(39-32)26-10-7-11-28(20-26)38-34-21-27(14-15-31(34)37)36-23(4)30-19-25(9-6-2)13-17-33(30)40-36/h5-21,37H,1-4H3 |
| InChI Key | CECWJTLAPIRAPJ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C36H30O4 |
| Molecular Weight | 526.60 g/mol |
| Exact Mass | 526.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 55.70 Ų |
| XlogP | 10.00 |
| There are no found synonyms. |
![2D Structure of 4-(3-Methyl-5-prop-1-enyl-1-benzofuran-2-yl)-2-[3-(3-methyl-5-prop-1-enyl-1-benzofuran-2-yl)phenoxy]phenol](https://plantaedb.com/storage/docs/compounds/2023/11/acda6e40-873a-11ee-b1ba-dfc7d6875f14.jpg "2D Structure of 4-(3-Methyl-5-prop-1-enyl-1-benzofuran-2-yl)-2-[3-(3-methyl-5-prop-1-enyl-1-benzofuran-2-yl)phenoxy]phenol")
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.02% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.61% | 91.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 96.87% | 99.15% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.54% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.18% | 86.33% |
| CHEMBL240 | Q12809 | HERG | 95.42% | 89.76% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.20% | 89.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 91.96% | 93.65% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 91.44% | 96.09% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.53% | 93.31% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.48% | 94.73% |
| CHEMBL3194 | P02766 | Transthyretin | 89.79% | 90.71% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.75% | 98.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 89.11% | 96.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.20% | 94.00% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 88.01% | 95.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.93% | 99.17% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 86.18% | 98.35% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 85.73% | 92.08% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.58% | 95.78% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 85.00% | 97.53% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.46% | 99.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.40% | 91.71% |
| CHEMBL5939 | Q9NZ08 | Endoplasmic reticulum aminopeptidase 1 | 83.48% | 100.00% |
| CHEMBL4393 | P39900 | Matrix metalloproteinase 12 | 82.41% | 92.22% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 81.57% | 80.78% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 81.13% | 86.92% |
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.
| Piper aequale |
| PubChem | 78384852 |
| LOTUS | LTS0196002 |
| wikiData | Q104955514 |