7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one
| Internal ID | 50f779dd-5664-4e88-9ce2-a6fe89909649 |
| Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
| IUPAC Name | 7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C27H30O12/c1-11-19(28)22(31)24(33)26(36-11)38-14-5-3-13(4-6-14)17-10-35-18-9-15(7-8-16(18)21(17)30)39-27-25(34)23(32)20(29)12(2)37-27/h3-12,19-20,22-29,31-34H,1-2H3/t11-,12-,19-,20-,22+,23+,24+,25+,26-,27-/m0/s1 |
| InChI Key | RIXHOIPNPVCEHZ-WIYOTWCASA-N |
| Popularity | 3 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 | -0.10 |
| orb1992262 |
| CHEMBL4080642 |
| ACon1_002159 |
| NCGC00179772-01 |
| BRD-K77836884-001-01-9 |
| 7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one |
![2D Structure of 7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/70f17020-85b6-11ee-8dbc-0988fdb5fb09.jpg "2D Structure of 7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3-[4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-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 | 98.38% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.96% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.87% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.53% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.30% | 86.33% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.93% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.41% | 95.56% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 87.14% | 93.31% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.89% | 97.36% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 86.16% | 95.78% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.33% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 83.87% | 86.92% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 83.24% | 90.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 83.18% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 83.04% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.87% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.48% | 99.15% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.39% | 96.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.38% | 97.09% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 81.17% | 96.47% |
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.
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| There are no matching plants. |
| PubChem | 23786367 |
| LOTUS | LTS0080204 |
| wikiData | Q105237235 |