Alpha,alpha,6-Trimethyl-4-(3-hydroxy-5-methylphenoxy)-5-prenyl-2,3-dihydrobenzofuran-2beta-methanol
| Internal ID | ac13b34d-1f0f-4868-8c17-f02abfd1ff3e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Ethers > Diarylethers |
| IUPAC Name | 3-[[(2R)-2-(2-hydroxypropan-2-yl)-6-methyl-5-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-4-yl]oxy]-5-methylphenol |
| SMILES (Canonical) | CC1=CC(=CC(=C1)OC2=C(C(=CC3=C2CC(O3)C(C)(C)O)C)CC=C(C)C)O |
| SMILES (Isomeric) | CC1=CC(=CC(=C1)OC2=C(C(=CC3=C2C[C@@H](O3)C(C)(C)O)C)CC=C(C)C)O |
| InChI | InChI=1S/C24H30O4/c1-14(2)7-8-19-16(4)11-21-20(13-22(28-21)24(5,6)26)23(19)27-18-10-15(3)9-17(25)12-18/h7,9-12,22,25-26H,8,13H2,1-6H3/t22-/m1/s1 |
| InChI Key | YOCJJZLDOFUTPJ-JOCHJYFZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C24H30O4 |
| Molecular Weight | 382.50 g/mol |
| Exact Mass | 382.21440943 g/mol |
| Topological Polar Surface Area (TPSA) | 58.90 Ų |
| XlogP | 5.80 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.08% | 91.11% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.89% | 94.73% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.92% | 99.15% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 90.77% | 95.78% |
| CHEMBL240 | Q12809 | HERG | 89.76% | 89.76% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.42% | 99.17% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 88.16% | 92.68% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.84% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.11% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.92% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.80% | 91.49% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.42% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.28% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.15% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.46% | 98.95% |
| CHEMBL2073 | P07947 | Tyrosine-protein kinase YES | 83.46% | 83.14% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 82.35% | 85.00% |
| CHEMBL5966 | P55899 | IgG receptor FcRn large subunit p51 | 81.74% | 90.93% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.17% | 94.80% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 81.03% | 93.65% |
| CHEMBL1075162 | Q13304 | Uracil nucleotide/cysteinyl leukotriene receptor | 80.50% | 80.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.46% | 95.89% |
| CHEMBL1977 | P11473 | Vitamin D receptor | 80.41% | 99.43% |
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.
| There are no matching plants. |
| PubChem | 122368706 |
| LOTUS | LTS0037095 |
| wikiData | Q77280697 |