(3S)-3-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-7-hydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | 87f48055-def5-4c5a-96e3-2f62dccba925 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavans > Isoflavanones > 3-prenylated isoflavanones |
| IUPAC Name | (3S)-3-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-7-hydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=CC(=C(C=C1O)O)C2COC3=C(C2=O)C=C(C(=C3)O)CC=C(C)C)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=C(C=C1O)O)[C@H]2COC3=C(C2=O)C=C(C(=C3)O)CC=C(C)C)C |
| InChI | InChI=1S/C25H28O5/c1-14(2)5-7-16-9-18(23(28)11-21(16)26)20-13-30-24-12-22(27)17(8-6-15(3)4)10-19(24)25(20)29/h5-6,9-12,20,26-28H,7-8,13H2,1-4H3/t20-/m1/s1 |
| InChI Key | BAIKLEGWKHNKLT-HXUWFJFHSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C25H28O5 |
| Molecular Weight | 408.50 g/mol |
| Exact Mass | 408.19367399 g/mol |
| Topological Polar Surface Area (TPSA) | 87.00 Ų |
| XlogP | 5.90 |
| There are no found synonyms. |
![2D Structure of (3S)-3-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-7-hydroxy-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/104e1430-8688-11ee-a5f2-857f4767ba16.jpg "2D Structure of (3S)-3-[2,4-dihydroxy-5-(3-methylbut-2-enyl)phenyl]-7-hydroxy-6-(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 |
|---|---|---|---|---|---|
| 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 | 99.25% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.63% | 98.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 91.71% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.14% | 89.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.86% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.54% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.48% | 95.56% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.01% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.73% | 86.33% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 86.31% | 95.93% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.03% | 99.17% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.91% | 94.73% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.10% | 90.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 82.56% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.71% | 92.62% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 81.51% | 94.80% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 81.50% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.82% | 95.89% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.52% | 97.09% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.39% | 89.50% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 80.11% | 89.34% |
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 prostrata |
| PubChem | 162898310 |
| LOTUS | LTS0231368 |
| wikiData | Q104922207 |