7-hydroxy-5-methoxy-4,6-dimethyl-7-O-alpha-L-rhamnosylphthalide
| Internal ID | eb412b4e-7bba-40c1-b96f-2267958ce189 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 5-methoxy-4,6-dimethyl-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-3H-2-benzofuran-1-one |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=C3C(=C(C(=C2C)OC)C)COC3=O)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C3C(=C(C(=C2C)OC)C)COC3=O)O)O)O |
| InChI | InChI=1S/C17H22O8/c1-6-9-5-23-16(21)10(9)15(7(2)14(6)22-4)25-17-13(20)12(19)11(18)8(3)24-17/h8,11-13,17-20H,5H2,1-4H3/t8-,11-,12+,13+,17-/m0/s1 |
| InChI Key | WGZSHFSRJXYDQK-VHTDFJGYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C17H22O8 |
| Molecular Weight | 354.40 g/mol |
| Exact Mass | 354.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 115.00 Ų |
| XlogP | 0.40 |
| 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 | 96.67% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.99% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.30% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.28% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.94% | 89.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.49% | 99.23% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.10% | 98.75% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.04% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.06% | 94.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 81.88% | 91.49% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 81.52% | 96.77% |
| CHEMBL1871 | P10275 | Androgen Receptor | 81.46% | 96.43% |
| CHEMBL2002 | P12268 | Inosine-5'-monophosphate dehydrogenase 2 | 80.73% | 98.21% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.41% | 97.09% |
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.
| There are no matching plants. |
| PubChem | 123304671 |
| LOTUS | LTS0222134 |
| wikiData | Q77420246 |