4-(3-Methyl-5-prop-1-enyl-1-benzofuran-2-yl)phenol
| Internal ID | 9ac84d5a-9dbc-4446-be51-acf75b46ff7e |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4-(3-methyl-5-prop-1-enyl-1-benzofuran-2-yl)phenol |
| SMILES (Canonical) | CC=CC1=CC2=C(C=C1)OC(=C2C)C3=CC=C(C=C3)O |
| SMILES (Isomeric) | CC=CC1=CC2=C(C=C1)OC(=C2C)C3=CC=C(C=C3)O |
| InChI | InChI=1S/C18H16O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-11,19H,1-2H3 |
| InChI Key | KNFUWJAIDVAYOV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H16O2 |
| Molecular Weight | 264.30 g/mol |
| Exact Mass | 264.115029749 g/mol |
| Topological Polar Surface Area (TPSA) | 33.40 Ų |
| XlogP | 5.00 |
| 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 |
|---|---|---|---|---|
| CHEMBL242 | Q92731 | Estrogen receptor beta | 99.04% | 98.35% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.38% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.20% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.00% | 89.00% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 92.22% | 91.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.46% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.44% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.24% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.18% | 98.95% |
| CHEMBL3194 | P02766 | Transthyretin | 86.37% | 90.71% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.80% | 93.65% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.48% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.43% | 96.00% |
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.
| Caryodaphnopsis baviensis |
| Krameria bicolor |
| Krameria erecta |
| Krameria lappacea |
| Piper aequale |
| Piper regnellii |
| PubChem | 3001232 |
| LOTUS | LTS0244326 |
| wikiData | Q105143400 |