Maackiaflavanone A
| Internal ID | 005c0261-b7c6-4503-8372-7d7e85d4f9b4 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavans > 8-prenylated flavans > 8-prenylated flavanones |
| IUPAC Name | (2S)-5-hydroxy-2-(7-hydroxy-2,2-dimethylchromen-6-yl)-7-methoxy-8-(3-methylbut-2-enyl)-2,3-dihydrochromen-4-one |
| SMILES (Canonical) | CC(=CCC1=C(C=C(C2=C1OC(CC2=O)C3=C(C=C4C(=C3)C=CC(O4)(C)C)O)O)OC)C |
| SMILES (Isomeric) | CC(=CCC1=C(C=C(C2=C1O[C@@H](CC2=O)C3=C(C=C4C(=C3)C=CC(O4)(C)C)O)O)OC)C |
| InChI | InChI=1S/C26H28O6/c1-14(2)6-7-16-22(30-5)12-19(28)24-20(29)13-23(31-25(16)24)17-10-15-8-9-26(3,4)32-21(15)11-18(17)27/h6,8-12,23,27-28H,7,13H2,1-5H3/t23-/m0/s1 |
| InChI Key | SMMHWUYJGIKYEW-QHCPKHFHSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C26H28O6 |
| Molecular Weight | 436.50 g/mol |
| Exact Mass | 436.18858861 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 5.60 |
| (2S)-5,2'-dihydroxy-7-methoxy-8-(3-methylbut-2-enyl)-2''',2'''-dimethylpyrano[5''',6''':5',4'] |
| (2S)-5,7'-dihydroxy-7-methoxy-2',2'-dimethyl-8-(3-methylbut-2-en-1-yl)-2,3-dihydro-2'H,4H-2,6'-bichromen-4-one |
| CHEBI:66643 |
| Q27135260 |
| (2S)-5-hydroxy-2-(7-hydroxy-2,2-dimethylchromen-6-yl)-7-methoxy-8-(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 | 99.39% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.23% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.75% | 85.14% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.89% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.79% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.95% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.88% | 86.33% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 89.59% | 91.07% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.32% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.29% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.79% | 99.17% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.63% | 92.62% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 87.25% | 85.30% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 87.22% | 89.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.56% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.24% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.07% | 99.23% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 84.01% | 93.40% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.91% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.08% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.76% | 92.94% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.64% | 91.03% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 81.91% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.40% | 100.00% |
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.
| Maackia amurensis |
| PubChem | 25231267 |
| LOTUS | LTS0219016 |
| wikiData | Q27135260 |