2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
| Internal ID | 0afa45e9-6de4-40a6-899e-5a992b9f588a |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | 2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OCC2C(C(C(C(O2)OC3=CC4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5)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=CC4=C(C=C3)C(=O)C=C(O4)C5=CC=CC=C5)O)O)O)O)O)O |
| InChI | InChI=1S/C27H30O12/c1-12-20(29)22(31)24(33)26(36-12)35-11-19-21(30)23(32)25(34)27(39-19)37-14-7-8-15-16(28)10-17(38-18(15)9-14)13-5-3-2-4-6-13/h2-10,12,19-27,29-34H,11H2,1H3/t12-,19+,20-,21+,22+,23-,24+,25+,26+,27+/m0/s1 |
| InChI Key | RIUBCVFISSKJFL-PEJVCNGMSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C27H30O12 |
| Molecular Weight | 546.50 g/mol |
| Exact Mass | 546.17372639 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | -0.60 |
| There are no found synonyms. |
![2D Structure of 2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2f4b5a60-8544-11ee-b8ed-c9114fe059be.jpg "2D Structure of 2-phenyl-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-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 | 99.47% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.66% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.99% | 86.33% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 95.19% | 83.57% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.11% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.50% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.09% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 92.82% | 94.00% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.32% | 93.31% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.09% | 95.93% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 87.58% | 97.36% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 85.89% | 94.73% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.38% | 99.23% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 83.18% | 99.17% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.37% | 97.09% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 82.08% | 92.67% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 80.83% | 99.15% |
| CHEMBL1293277 | O15118 | Niemann-Pick C1 protein | 80.25% | 81.11% |
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.
| Artemisia monosperma |
| PubChem | 162971822 |
| LOTUS | LTS0202022 |
| wikiData | Q105237137 |