corymbiferin 1-O-glucoside
| Internal ID | d61d1534-a170-4568-9e2b-9302d4ce327a |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 1-benzopyrans > Xanthones |
| IUPAC Name | 3,6-dihydroxy-4,5-dimethoxy-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one |
| SMILES (Canonical) | COC1=C(C=CC2=C1OC3=C(C(=CC(=C3C2=O)OC4C(C(C(C(O4)CO)O)O)O)O)OC)O |
| SMILES (Isomeric) | COC1=C(C=CC2=C1OC3=C(C(=CC(=C3C2=O)OC4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)OC)O |
| InChI | InChI=1S/C21H22O12/c1-29-18-8(23)4-3-7-13(25)12-10(5-9(24)19(30-2)20(12)33-17(7)18)31-21-16(28)15(27)14(26)11(6-22)32-21/h3-5,11,14-16,21-24,26-28H,6H2,1-2H3/t11-,14-,15+,16-,21?/m1/s1 |
| InChI Key | STWLEHSEFAYLCI-HIALJPTESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C21H22O12 |
| Molecular Weight | 466.40 g/mol |
| Exact Mass | 466.11112613 g/mol |
| Topological Polar Surface Area (TPSA) | 185.00 Ų |
| XlogP | 0.00 |
| CHEMBL468395 |
| 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 | 99.35% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 93.79% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 93.72% | 89.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.31% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.16% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.67% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 88.50% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 85.86% | 99.15% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.64% | 86.33% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.62% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.26% | 94.73% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.12% | 96.09% |
| CHEMBL3194 | P02766 | Transthyretin | 80.05% | 90.71% |
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.
| Gentianella amarella |
| PubChem | 44577223 |
| LOTUS | LTS0235407 |
| wikiData | Q104399859 |