5,7-dihydroxy-8-methoxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one
Internal ID | e47b52cd-337b-44a8-bf78-b86e85c51c91 |
Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-3-O-glycosides |
IUPAC Name | 5,7-dihydroxy-8-methoxy-3-[(2S,3S,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2-(3,4,5-trihydroxyphenyl)chromen-4-one |
SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C(OC3=C(C2=O)C(=CC(=C3OC)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@@H]([C@@H](O1)OC2=C(OC3=C(C2=O)C(=CC(=C3OC)O)O)C4=CC(=C(C(=C4)O)O)O)O)O)O |
InChI | InChI=1S/C22H22O13/c1-6-13(27)16(30)17(31)22(33-6)35-21-15(29)12-8(23)5-11(26)19(32-2)20(12)34-18(21)7-3-9(24)14(28)10(25)4-7/h3-6,13,16-17,22-28,30-31H,1-2H3/t6-,13-,16+,17-,22-/m0/s1 |
InChI Key | RGKGMHFSTIUBJZ-SIKSZNSBSA-N |
Popularity | 0 references in papers |
Molecular Formula | C22H22O13 |
Molecular Weight | 494.40 g/mol |
Exact Mass | 494.10604075 g/mol |
Topological Polar Surface Area (TPSA) | 216.00 Ų |
XlogP | 0.50 |
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 | 99.77% | 91.11% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.52% | 89.00% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.15% | 94.00% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.21% | 86.33% |
CHEMBL2581 | P07339 | Cathepsin D | 91.12% | 98.95% |
CHEMBL3401 | O75469 | Pregnane X receptor | 90.70% | 94.73% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.65% | 85.14% |
CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.61% | 97.36% |
CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 87.20% | 95.64% |
CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 86.08% | 99.15% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.40% | 95.56% |
CHEMBL1951 | P21397 | Monoamine oxidase A | 84.11% | 91.49% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.83% | 96.09% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.80% | 99.17% |
CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 82.96% | 94.42% |
CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 82.56% | 90.71% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.43% | 99.23% |
CHEMBL241 | Q14432 | Phosphodiesterase 3A | 82.30% | 92.94% |
CHEMBL3194 | P02766 | Transthyretin | 82.01% | 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.
Erica verticillata |
PubChem | 163105805 |
LOTUS | LTS0059928 |
wikiData | Q105235927 |