4-(3-Methyl-5-prop-1-enyl-2,3-dihydro-1-benzofuran-2-yl)phenol
| Internal ID | 310020ae-0142-4810-ae70-b9990585dd29 |
| Taxonomy | Phenylpropanoids and polyketides > 2-arylbenzofuran flavonoids |
| IUPAC Name | 4-(3-methyl-5-prop-1-enyl-2,3-dihydro-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/C18H18O2/c1-3-4-13-5-10-17-16(11-13)12(2)18(20-17)14-6-8-15(19)9-7-14/h3-12,18-19H,1-2H3 |
| InChI Key | GXJSAHXNLJFDPO-UHFFFAOYSA-N |
| Popularity | 13 references in papers |
| Molecular Formula | C18H18O2 |
| Molecular Weight | 266.30 g/mol |
| Exact Mass | 266.130679813 g/mol |
| Topological Polar Surface Area (TPSA) | 29.50 Ų |
| XlogP | 4.40 |
| 221666-27-9 |
| 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 | 98.18% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.28% | 91.49% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 93.06% | 98.35% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.65% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.64% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.60% | 95.56% |
| CHEMBL206 | P03372 | Estrogen receptor alpha | 87.53% | 97.64% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.68% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.67% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 85.07% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 83.43% | 90.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.10% | 97.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 81.64% | 91.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.43% | 99.17% |
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 decurrens |
| Piper regnellii |
| Piper solmsianum |
| PubChem | 70414118 |
| LOTUS | LTS0096891 |
| wikiData | Q105023125 |