3-(3,4-Dihydroxyphenyl)-1-[2-hydroxy-4-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one
Internal ID | 5c4390e5-d4bc-4d69-a0f7-eb100fc04281 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
IUPAC Name | 3-(3,4-dihydroxyphenyl)-1-[2-hydroxy-4-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propan-1-one |
SMILES (Canonical) | COC1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)CCC3=CC(=C(C=C3)O)O)O |
SMILES (Isomeric) | COC1=CC(=C(C(=C1)OC2C(C(C(C(O2)CO)O)O)O)C(=O)CCC3=CC(=C(C=C3)O)O)O |
InChI | InChI=1S/C22H26O11/c1-31-11-7-15(27)18(13(25)5-3-10-2-4-12(24)14(26)6-10)16(8-11)32-22-21(30)20(29)19(28)17(9-23)33-22/h2,4,6-8,17,19-24,26-30H,3,5,9H2,1H3 |
InChI Key | IWJPQQXPWSVXAG-UHFFFAOYSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H26O11 |
Molecular Weight | 466.40 g/mol |
Exact Mass | 466.14751164 g/mol |
Topological Polar Surface Area (TPSA) | 186.00 Ų |
XlogP | 0.80 |
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 | 98.97% | 91.11% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.18% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 95.55% | 99.17% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.46% | 94.73% |
CHEMBL4208 | P20618 | Proteasome component C5 | 91.24% | 90.00% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 90.24% | 99.15% |
CHEMBL2581 | P07339 | Cathepsin D | 90.20% | 98.95% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.53% | 94.45% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.87% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.84% | 86.33% |
CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 86.38% | 95.50% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.30% | 95.56% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.66% | 96.00% |
CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.48% | 86.92% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.33% | 95.89% |
CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 81.79% | 96.95% |
CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.45% | 95.89% |
CHEMBL3194 | P02766 | Transthyretin | 80.65% | 90.71% |
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.
Pieris japonica |
PubChem | 72807927 |
LOTUS | LTS0193906 |
wikiData | Q105121684 |