[(2S)-6-hydroxy-2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]-phenylmethanone
| Internal ID | 688656c9-f382-49a7-b6b5-433978136003 |
| Taxonomy | Benzenoids > Benzene and substituted derivatives > Benzophenones |
| IUPAC Name | [(2S)-6-hydroxy-2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]-phenylmethanone |
| SMILES (Canonical) | CC(=CCC1=C2C(=CC(=C1O)C(=O)C3=CC=CC=C3)CC(O2)C(C)(C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C2C(=CC(=C1O)C(=O)C3=CC=CC=C3)C[C@H](O2)C(C)(C)O)C |
| InChI | InChI=1S/C23H26O4/c1-14(2)10-11-17-21(25)18(20(24)15-8-6-5-7-9-15)12-16-13-19(23(3,4)26)27-22(16)17/h5-10,12,19,25-26H,11,13H2,1-4H3/t19-/m0/s1 |
| InChI Key | NOIJRZIUXHBWOG-IBGZPJMESA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C23H26O4 |
| Molecular Weight | 366.40 g/mol |
| Exact Mass | 366.18310931 g/mol |
| Topological Polar Surface Area (TPSA) | 66.80 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of [(2S)-6-hydroxy-2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]-phenylmethanone](https://plantaedb.com/storage/docs/compounds/2023/11/142b2d10-85f1-11ee-9a23-e900362caae4.jpg "2D Structure of [(2S)-6-hydroxy-2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]-phenylmethanone")
| 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 | 98.63% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.08% | 86.33% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 95.55% | 89.34% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.27% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.29% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.38% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.62% | 90.17% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.66% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.46% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.46% | 95.89% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.30% | 91.49% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 80.14% | 95.50% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 80.04% | 81.29% |
| CHEMBL5028 | O14672 | ADAM10 | 80.00% | 97.50% |
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.
| Vismia guianensis |
| PubChem | 163067404 |
| LOTUS | LTS0114559 |
| wikiData | Q105182593 |