Okanin 4-methyl ether 4'-(6''-acetylglucoside)
| Internal ID | b2a9a0b7-f691-4e02-ab24-80ee72307f5b |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[2,3-dihydroxy-4-[(E)-3-(3-hydroxy-4-methoxyphenyl)prop-2-enoyl]phenoxy]-3,4,5-trihydroxyoxan-2-yl]methyl acetate |
| SMILES (Canonical) | CC(=O)OCC1C(C(C(C(O1)OC2=C(C(=C(C=C2)C(=O)C=CC3=CC(=C(C=C3)OC)O)O)O)O)O)O |
| SMILES (Isomeric) | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=C(C(=C(C=C2)C(=O)/C=C/C3=CC(=C(C=C3)OC)O)O)O)O)O)O |
| InChI | InChI=1S/C24H26O12/c1-11(25)34-10-18-21(30)22(31)23(32)24(36-18)35-17-8-5-13(19(28)20(17)29)14(26)6-3-12-4-7-16(33-2)15(27)9-12/h3-9,18,21-24,27-32H,10H2,1-2H3/b6-3+/t18-,21-,22+,23-,24-/m1/s1 |
| InChI Key | UXSYWTOYZVPKHE-OXXGOWNMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H26O12 |
| Molecular Weight | 506.50 g/mol |
| Exact Mass | 506.14242626 g/mol |
| Topological Polar Surface Area (TPSA) | 192.00 Ų |
| XlogP | 1.00 |
| LMPK12120170 |
| 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 | 99.06% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 97.19% | 86.33% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.69% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.43% | 91.49% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 94.73% | 96.00% |
| CHEMBL3194 | P02766 | Transthyretin | 94.36% | 90.71% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.03% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.24% | 99.17% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 89.83% | 95.50% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.24% | 94.73% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.42% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.39% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.26% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.27% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.72% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.59% | 90.00% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 81.21% | 98.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.48% | 97.09% |
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.
| Bidens campylotheca |
| Bidens frondosa |
| PubChem | 15755769 |
| LOTUS | LTS0200586 |
| wikiData | Q76506903 |