6,8-Di-C-methylkaempferol 3,7-dimethyl ether
| Internal ID | 9b7ee744-afc5-4fac-bf6a-517a7cb52c4a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > O-methylated flavonoids > 7-O-methylated flavonoids |
| IUPAC Name | 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-6,8-dimethylchromen-4-one |
| SMILES (Canonical) | CC1=C(C2=C(C(=C1OC)C)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O |
| SMILES (Isomeric) | CC1=C(C2=C(C(=C1OC)C)OC(=C(C2=O)OC)C3=CC=C(C=C3)O)O |
| InChI | InChI=1S/C19H18O6/c1-9-14(21)13-15(22)19(24-4)18(11-5-7-12(20)8-6-11)25-17(13)10(2)16(9)23-3/h5-8,20-21H,1-4H3 |
| InChI Key | PCRPRSKMNFYFSI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18O6 |
| Molecular Weight | 342.30 g/mol |
| Exact Mass | 342.11033829 g/mol |
| Topological Polar Surface Area (TPSA) | 85.20 Ų |
| XlogP | 3.90 |
| CHEBI:193371 |
| LMPK12112686 |
| 5-hydroxy-2-(4-hydroxyphenyl)-3,7-dimethoxy-6,8-dimethylchromen-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 | 97.13% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.47% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.60% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.37% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.55% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.68% | 99.23% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.92% | 94.45% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 85.25% | 95.64% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.13% | 86.33% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.19% | 99.15% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.31% | 93.65% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 81.74% | 98.35% |
| CHEMBL5905 | Q04828 | Aldo-keto reductase family 1 member C1 | 80.09% | 91.79% |
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.
| Abies nephrolepis |
| Alluaudia dumosa |
| Kalmia latifolia |
| Piliostigma thonningii |
| PubChem | 14353450 |
| LOTUS | LTS0163515 |
| wikiData | Q105205945 |