(2R,3S)-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol
| Internal ID | fcb21bf9-cdbf-43b6-9455-908ef25d539b |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides |
| IUPAC Name | (2R,3S)-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol |
| SMILES (Canonical) | C1C(C(OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)O |
| SMILES (Isomeric) | C1[C@@H]([C@H](OC2=CC(=CC(=C21)O)O)C3=CC=C(C=C3)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
| InChI | InChI=1S/C21H24O10/c22-8-16-17(26)18(27)19(28)21(31-16)29-11-3-1-9(2-4-11)20-14(25)7-12-13(24)5-10(23)6-15(12)30-20/h1-6,14,16-28H,7-8H2/t14-,16+,17+,18-,19+,20+,21+/m0/s1 |
| InChI Key | IXZVCFYFCCLMQA-DPRDWZRASA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24O10 |
| Molecular Weight | 436.40 g/mol |
| Exact Mass | 436.13694696 g/mol |
| Topological Polar Surface Area (TPSA) | 169.00 Ų |
| XlogP | 0.00 |
| There are no found synonyms. |
![2D Structure of (2R,3S)-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol](https://plantaedb.com/storage/docs/compounds/2023/11/24fcc390-8637-11ee-8768-5539f9e2b999.jpg "2D Structure of (2R,3S)-2-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-3,4-dihydro-2H-chromene-3,5,7-triol")
| 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 | 99.73% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.60% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 97.54% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.28% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.03% | 90.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.97% | 99.15% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.95% | 98.95% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 88.48% | 94.73% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.91% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.71% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.65% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.22% | 89.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.21% | 95.56% |
| CHEMBL2243 | O00519 | Anandamide amidohydrolase | 84.65% | 97.53% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.17% | 94.00% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 82.71% | 95.93% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 80.83% | 95.83% |
| CHEMBL3004 | P33527 | Multidrug resistance-associated protein 1 | 80.08% | 96.37% |
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.
| Selliguea feei |
| PubChem | 10094553 |
| LOTUS | LTS0124744 |
| wikiData | Q105122602 |