[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)phenoxy]oxan-2-yl]methyl acetate
Internal ID | f614dc2a-0693-4c3c-9042-2e1df648a310 |
Taxonomy | Phenylpropanoids and polyketides > Isoflavonoids > Isoflavonoid O-glycosides |
IUPAC Name | [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[4-(8-oxo-[1,3]dioxolo[4,5-g]chromen-7-yl)phenoxy]oxan-2-yl]methyl acetate |
SMILES (Canonical) | CC(=O)OCC1C(C(C(C(O1)OC2=CC=C(C=C2)C3=COC4=CC5=C(C=C4C3=O)OCO5)O)O)O |
SMILES (Isomeric) | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OC2=CC=C(C=C2)C3=COC4=CC5=C(C=C4C3=O)OCO5)O)O)O |
InChI | InChI=1S/C24H22O11/c1-11(25)30-9-19-21(27)22(28)23(29)24(35-19)34-13-4-2-12(3-5-13)15-8-31-16-7-18-17(32-10-33-18)6-14(16)20(15)26/h2-8,19,21-24,27-29H,9-10H2,1H3/t19-,21-,22+,23-,24-/m1/s1 |
InChI Key | AODHRFUELYSLHK-PFKOEMKTSA-N |
Popularity | 0 references in papers |
Molecular Formula | C24H22O11 |
Molecular Weight | 486.40 g/mol |
Exact Mass | 486.11621151 g/mol |
Topological Polar Surface Area (TPSA) | 150.00 Ų |
XlogP | 0.90 |
There are no found synonyms. |
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 | 99.32% | 91.11% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.41% | 96.77% |
CHEMBL2581 | P07339 | Cathepsin D | 98.19% | 98.95% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 96.36% | 89.00% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.83% | 94.80% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.30% | 96.09% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 93.57% | 95.93% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 92.34% | 92.62% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.70% | 97.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.57% | 86.33% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.48% | 94.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 89.94% | 94.73% |
CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.84% | 99.17% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.26% | 94.45% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.76% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.25% | 95.56% |
CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.85% | 96.00% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.45% | 100.00% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.03% | 85.14% |
CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.89% | 95.78% |
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.
Trifolium pratense |
PubChem | 102463150 |
LOTUS | LTS0141795 |
wikiData | Q104393109 |