(2S)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2,3-dihydrochromen-4-one
| Internal ID | df2aca38-8d7a-410c-b036-8b0e068b0f1b |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2S)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)C2CC(=O)C3=C(O2)C(=C(C=C3)O)CC(C(=C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=CC(=C1O)CC=C(C)C)[C@@H]2CC(=O)C3=C(O2)C(=C(C=C3)O)C[C@H](C(=C)C)O)C |
| InChI | InChI=1S/C30H36O5/c1-17(2)7-9-20-13-22(14-21(29(20)34)10-8-18(3)4)28-16-27(33)23-11-12-25(31)24(30(23)35-28)15-26(32)19(5)6/h7-8,11-14,26,28,31-32,34H,5,9-10,15-16H2,1-4,6H3/t26-,28+/m1/s1 |
| InChI Key | IFEDNNGQTDQQCA-IAPPQJPRSA-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) | 87.00 Ų |
| XlogP | 6.90 |
| There are no found synonyms. |
![2D Structure of (2S)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-[(2R)-2-hydroxy-3-methylbut-3-enyl]-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/30c5a550-8629-11ee-921f-6ffdb73d5bf9.jpg "2D Structure of (2S)-7-hydroxy-2-[4-hydroxy-3,5-bis(3-methylbut-2-enyl)phenyl]-8-[(2R)-2-hydroxy-3-methylbut-3-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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.88% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.69% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.99% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 94.79% | 85.14% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.65% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.44% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 89.72% | 94.73% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.54% | 89.00% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 88.52% | 83.82% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 88.17% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.42% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.76% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 85.58% | 90.71% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.35% | 99.15% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.05% | 100.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 83.85% | 89.34% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.49% | 96.95% |
| CHEMBL1929 | P47989 | Xanthine dehydrogenase | 81.43% | 96.12% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 81.15% | 96.37% |
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 | 162863732 |
| LOTUS | LTS0156699 |
| wikiData | Q105112104 |