(2S)-7-hydroxy-2-[(2R)-2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | 938cc8e8-d832-4d2c-bf12-0379328f59a1 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2S)-7-hydroxy-2-[(2R)-2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=CC(=CC2=C1OC(C2)C(C)(C)O)C3CC(=O)C4=C(O3)C(=C(C=C4)O)CC=C(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=CC2=C1O[C@H](C2)C(C)(C)O)[C@@H]3CC(=O)C4=C(O3)C(=C(C=C4)O)CC=C(C)C)C |
| InChI | InChI=1S/C30H36O5/c1-17(2)7-9-19-13-20(14-21-15-27(30(5,6)33)35-28(19)21)26-16-25(32)23-11-12-24(31)22(29(23)34-26)10-8-18(3)4/h7-8,11-14,26-27,31,33H,9-10,15-16H2,1-6H3/t26-,27+/m0/s1 |
| InChI Key | GUOZFKYIHZVTRA-RRPNLBNLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C30H36O5 |
| Molecular Weight | 476.60 g/mol |
| Exact Mass | 476.25627424 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 6.40 |
| There are no found synonyms. |
![2D Structure of (2S)-7-hydroxy-2-[(2R)-2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/bfe85fd0-8454-11ee-bbfa-81af47a8c874.jpg "2D Structure of (2S)-7-hydroxy-2-[(2R)-2-(2-hydroxypropan-2-yl)-7-(3-methylbut-2-enyl)-2,3-dihydro-1-benzofuran-5-yl]-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one")
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| CHEMBL2061 | P19793 | Retinoid X receptor alpha |
770 nM |
EC50 |
via Super-PRED
|
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.74% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.11% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.89% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.21% | 94.73% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.19% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.08% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.08% | 95.56% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 91.97% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 90.81% | 96.95% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.38% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.04% | 95.89% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.31% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.10% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.58% | 93.40% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 82.44% | 96.12% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.02% | 93.04% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 81.06% | 98.11% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.83% | 99.15% |
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.
| Sophora tonkinensis |
| PubChem | 162886639 |
| LOTUS | LTS0051896 |
| wikiData | Q105020339 |