(2S)-2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one
| Internal ID | b3217608-607f-4db7-be4c-5222af3ffab6 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2S)-2-(2,2-dimethylchromen-6-yl)-5,7-dihydroxy-6,8-bis(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC4=C(C=C3)OC(C=C4)(C)C)CC=C(C)C)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C(=C2C(=C1O)C(=O)C[C@H](O2)C3=CC4=C(C=C3)OC(C=C4)(C)C)CC=C(C)C)O)C |
| InChI | InChI=1S/C30H34O5/c1-17(2)7-10-21-27(32)22(11-8-18(3)4)29-26(28(21)33)23(31)16-25(34-29)19-9-12-24-20(15-19)13-14-30(5,6)35-24/h7-9,12-15,25,32-33H,10-11,16H2,1-6H3/t25-/m0/s1 |
| InChI Key | RPCILRXZRGPPAQ-VWLOTQADSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C30H34O5 |
| Molecular Weight | 474.60 g/mol |
| Exact Mass | 474.24062418 g/mol |
| Topological Polar Surface Area (TPSA) | 76.00 Ų |
| XlogP | 7.50 |
| There are no found synonyms. |
| 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 | 99.74% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.48% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.39% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.61% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.29% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.05% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.57% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 91.52% | 89.76% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.46% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.69% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.65% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.02% | 86.33% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.78% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.46% | 95.56% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.51% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 83.65% | 93.40% |
| CHEMBL4051 | P13569 | Cystic fibrosis transmembrane conductance regulator | 81.32% | 95.71% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 80.36% | 90.17% |
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.
| Euchresta japonica |
| PubChem | 162919555 |
| LOTUS | LTS0080104 |
| wikiData | Q105242613 |