4-(3,4-Dihydroxyphenyl)-5-(beta-D-galactopyranosyloxy)-7-methoxy-2H-1-benzopyran-2-one
| Internal ID | e2533353-8094-4327-990f-c7f5880c0ee5 |
| Taxonomy | Phenylpropanoids and polyketides > Coumarins and derivatives > Coumarin glycosides |
| IUPAC Name | 4-(3,4-dihydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one |
| SMILES (Canonical) | COC1=CC2=C(C(=CC(=O)O2)C3=CC(=C(C=C3)O)O)C(=C1)OC4C(C(C(C(O4)CO)O)O)O |
| SMILES (Isomeric) | COC1=CC2=C(C(=CC(=O)O2)C3=CC(=C(C=C3)O)O)C(=C1)O[C@H]4[C@@H]([C@H]([C@H]([C@H](O4)CO)O)O)O |
| InChI | InChI=1S/C22H22O11/c1-30-10-5-14-18(11(7-17(26)31-14)9-2-3-12(24)13(25)4-9)15(6-10)32-22-21(29)20(28)19(27)16(8-23)33-22/h2-7,16,19-25,27-29H,8H2,1H3/t16-,19+,20+,21-,22-/m1/s1 |
| InChI Key | JZBHUVGJBWDUSA-WIXLDOGYSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C22H22O11 |
| Molecular Weight | 462.40 g/mol |
| Exact Mass | 462.11621151 g/mol |
| Topological Polar Surface Area (TPSA) | 175.00 Ų |
| XlogP | 0.20 |
| 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 | 99.39% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.53% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.92% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.87% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.66% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.15% | 96.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.25% | 89.00% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 91.99% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.53% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.43% | 86.33% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.62% | 99.17% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 87.66% | 86.92% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 87.52% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 87.19% | 96.00% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 85.55% | 80.78% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 85.38% | 91.49% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 83.55% | 95.53% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.14% | 95.89% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 82.05% | 96.21% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 81.97% | 93.31% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 81.83% | 95.83% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.51% | 95.78% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 81.50% | 95.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.36% | 90.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.35% | 97.09% |
| CHEMBL3194 | P02766 | Transthyretin | 80.85% | 90.71% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 80.39% | 97.36% |
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.
| Exostema caribaeum |
| Hintonia latiflora |
| PubChem | 21676237 |
| LOTUS | LTS0218277 |
| wikiData | Q105137329 |