cudraflavanone A
| Internal ID | ceb7fe33-97fd-4351-b65d-ffb86adfd160 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 6-prenylated flavans > 6-prenylated flavanones |
| IUPAC Name | (2S)-5,7-dihydroxy-2-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C2=C(C=C1O)OC(CC2=O)C3=C(C=C4C(=C3)C=CC(O4)(C)C)O)O)C |
| SMILES (Isomeric) | CC(=CCC1=C(C2=C(C=C1O)O[C@@H](CC2=O)C3=C(C=C4C(=C3)C=CC(O4)(C)C)O)O)C |
| InChI | InChI=1S/C25H26O6/c1-13(2)5-6-15-17(26)11-22-23(24(15)29)19(28)12-21(30-22)16-9-14-7-8-25(3,4)31-20(14)10-18(16)27/h5,7-11,21,26-27,29H,6,12H2,1-4H3/t21-/m0/s1 |
| InChI Key | XPMCEWWRVJLSLM-NRFANRHFSA-N |
| Popularity | 8 references in papers |
| Molecular Formula | C25H26O6 |
| Molecular Weight | 422.50 g/mol |
| Exact Mass | 422.17293854 g/mol |
| Topological Polar Surface Area (TPSA) | 96.20 Ų |
| XlogP | 5.20 |
| (2S)-5,7-dihydroxy-2-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| RefChem:128737 |
| 5,7-dihydroxy-2-(7-hydroxy-2,2-dimethylchromen-6-yl)-6-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| 87402-92-4 |
| CHEMBL220746 |
| BDBM50193719 |
| (S)-5,7,7''-trihydroxy-2'',2''-dimethyl-6-(3-methylbut-2-enyl)-2,6''-bichroman-4-one |
| (S)-5,7-dihydroxy-2-(7-hydroxy-2,2-dimethyl-2H-chromen-6-yl)-6-(3-methylbut-2-enyl)chroman-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 | 99.57% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.34% | 85.14% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.98% | 94.45% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.50% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.03% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 90.56% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.91% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.39% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.42% | 91.07% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.37% | 100.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.87% | 90.00% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 85.64% | 89.34% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.10% | 99.23% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.50% | 95.89% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.61% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.33% | 94.73% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.33% | 95.56% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 82.96% | 96.37% |
| CHEMBL2964 | P36507 | Dual specificity mitogen-activated protein kinase kinase 2 | 82.73% | 80.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.96% | 91.49% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 81.19% | 92.68% |
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 |
| Maclura pomifera |
| Maclura tricuspidata |
| PubChem | 21721847 |
| NPASS | NPC267375 |
| ChEMBL | CHEMBL220746 |
| LOTUS | LTS0144445 |
| wikiData | Q104399338 |