(2S)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-2-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | 3c57f9f2-3160-4bac-9c2e-4fb217ba2a39 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 2-prenylated flavans > 2-prenylated flavanones |
| IUPAC Name | (2S)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-2-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C=CC(=C1O)OC)C2CC(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=CC(=C1O)OC)[C@@H]2CC(=O)C3=C(O2)C=C(C(=C3O)CC=C(C)C)O)C |
| InChI | InChI=1S/C26H30O6/c1-14(2)6-8-17-16(10-11-21(31-5)25(17)29)22-13-20(28)24-23(32-22)12-19(27)18(26(24)30)9-7-15(3)4/h6-7,10-12,22,27,29-30H,8-9,13H2,1-5H3/t22-/m0/s1 |
| InChI Key | HHUBHYQGRICPOK-QFIPXVFZSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O6 |
| Molecular Weight | 438.50 g/mol |
| Exact Mass | 438.20423867 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of (2S)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-2-(3-methylbut-2-enyl)phenyl]-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/8e66ae90-85f6-11ee-8031-3da432299b5d.jpg "2D Structure of (2S)-5,7-dihydroxy-2-[3-hydroxy-4-methoxy-2-(3-methylbut-2-enyl)phenyl]-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 | 99.00% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.90% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.93% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.25% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.06% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.10% | 96.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.72% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.38% | 95.56% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 89.08% | 83.10% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.62% | 99.17% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 87.29% | 98.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 87.05% | 89.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.79% | 94.73% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.69% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.01% | 90.71% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.44% | 99.23% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.19% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.99% | 98.75% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 82.55% | 92.68% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.55% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.48% | 97.09% |
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.
| Antiaris toxicaria |
| PubChem | 163028199 |
| LOTUS | LTS0229721 |
| wikiData | Q105028573 |