4'-O-Methyldavidioside
| Internal ID | 59a5bdf8-4534-46f0-a583-96a5fff35c21 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | 3-(4-hydroxyphenyl)-1-[4-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one |
| SMILES (Canonical) | COC1=CC(=C(C=C1)C(=O)CCC2=CC=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O |
| SMILES (Isomeric) | COC1=CC(=C(C=C1)C(=O)CCC2=CC=C(C=C2)O)OC3C(C(C(C(O3)CO)O)O)O |
| InChI | InChI=1S/C22H26O9/c1-29-14-7-8-15(16(25)9-4-12-2-5-13(24)6-3-12)17(10-14)30-22-21(28)20(27)19(26)18(11-23)31-22/h2-3,5-8,10,18-24,26-28H,4,9,11H2,1H3 |
| InChI Key | ZZYCSCHEPKHDHN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H26O9 |
| Molecular Weight | 434.40 g/mol |
| Exact Mass | 434.15768240 g/mol |
| Topological Polar Surface Area (TPSA) | 146.00 Ų |
| XlogP | 0.70 |
| CHEBI:179356 |
| LMPK12120447 |
| 3-(4-hydroxyphenyl)-1-[4-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-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 | 98.79% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.74% | 96.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 96.00% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.98% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.11% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.66% | 90.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.62% | 86.33% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.72% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.73% | 95.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.39% | 97.36% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.28% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.24% | 98.75% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 86.79% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.40% | 94.45% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 85.96% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.77% | 94.73% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.82% | 97.09% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.38% | 86.92% |
| CHEMBL5852 | Q96P65 | Pyroglutamylated RFamide peptide receptor | 83.12% | 85.00% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.99% | 96.00% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.64% | 96.95% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 80.50% | 97.53% |
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.
| Viburnum lantanoides |
| PubChem | 42607669 |
| LOTUS | LTS0127051 |
| wikiData | Q105387185 |