Kaempferol-7-O-rhamnosyl-sophoroside
| Internal ID | 3aa65e90-80cd-4f8d-b9ea-30d85eaa9ea7 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 7-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-2-(4-hydroxyphenyl)chromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)OC6C(C(C(C(O6)CO)O)O)O)O)O)O)O)O |
| SMILES (Isomeric) | C[C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC(=C4C(=C3)OC(=C(C4=O)O)C5=CC=C(C=C5)O)O)O[C@H]6[C@@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O)O)O)O |
| InChI | InChI=1S/C33H40O20/c1-10-19(37)23(41)27(45)31(48-10)47-9-17-21(39)25(43)30(53-32-28(46)24(42)20(38)16(8-34)51-32)33(52-17)49-13-6-14(36)18-15(7-13)50-29(26(44)22(18)40)11-2-4-12(35)5-3-11/h2-7,10,16-17,19-21,23-25,27-28,30-39,41-46H,8-9H2,1H3/t10-,16-,17-,19-,20-,21-,23+,24+,25+,27+,28-,30-,31+,32+,33-/m1/s1 |
| InChI Key | MZOCXEXVDZYXNI-DBNSYESJSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C33H40O20 |
| Molecular Weight | 756.70 g/mol |
| Exact Mass | 756.21129366 g/mol |
| Topological Polar Surface Area (TPSA) | 324.00 Ų |
| XlogP | -2.50 |
| KAEMPFEROL-7-O-RHAMNOSYL-SOPHOROSIDE |
| 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 | 99.70% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.63% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 97.70% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.62% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.73% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.28% | 86.33% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 94.44% | 94.73% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.60% | 95.64% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 92.94% | 97.36% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.31% | 86.92% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.92% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.69% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 86.95% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 86.48% | 99.17% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.27% | 95.78% |
| CHEMBL3194 | P02766 | Transthyretin | 85.63% | 90.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.92% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.55% | 95.56% |
| CHEMBL242 | Q92731 | Estrogen receptor beta | 84.10% | 98.35% |
| CHEMBL2107 | P61073 | C-X-C chemokine receptor type 4 | 83.60% | 93.10% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.70% | 94.80% |
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.
| Morinda morindoides |
| PubChem | 76333909 |
| LOTUS | LTS0142750 |
| wikiData | Q104399070 |