Sesaminol glucosyl-(1->2)-glucoside
| Internal ID | b85a91c2-56ad-4a30-abe4-2ec8bedb48f5 |
| Taxonomy | Lignans, neolignans and related compounds > Lignan glycosides |
| IUPAC Name | 2-[2-[[6-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-1,3-benzodioxol-5-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | C1C2C(COC2C3=CC4=C(C=C3OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)OCO4)C(O1)C7=CC8=C(C=C7)OCO8 |
| SMILES (Isomeric) | C1C2C(COC2C3=CC4=C(C=C3OC5C(C(C(C(O5)CO)O)O)OC6C(C(C(C(O6)CO)O)O)O)OCO4)C(O1)C7=CC8=C(C=C7)OCO8 |
| InChI | InChI=1S/C32H38O17/c33-6-21-23(35)25(37)27(39)31(47-21)49-30-26(38)24(36)22(7-34)48-32(30)46-17-5-20-19(44-11-45-20)4-13(17)29-15-9-40-28(14(15)8-41-29)12-1-2-16-18(3-12)43-10-42-16/h1-5,14-15,21-39H,6-11H2 |
| InChI Key | TUTPGZDOPYRLSX-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C32H38O17 |
| Molecular Weight | 694.60 g/mol |
| Exact Mass | 694.21089974 g/mol |
| Topological Polar Surface Area (TPSA) | 234.00 Ų |
| XlogP | -1.10 |
| CHEBI:191723 |
| 2-[2-[[6-[3-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrouro[3,4-c]uran-6-yl]-1,3-benzodioxol-5-yl]oxy]-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-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 | 98.91% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.89% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.72% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.01% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.34% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.18% | 92.62% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.62% | 95.93% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.83% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.97% | 98.95% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.55% | 96.77% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.31% | 94.80% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 82.58% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 81.98% | 99.17% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 81.90% | 97.36% |
| CHEMBL2563 | Q9UQL6 | Histone deacetylase 5 | 81.83% | 89.67% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.03% | 100.00% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 80.95% | 85.49% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.94% | 89.62% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.58% | 95.89% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.41% | 96.00% |
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.
| Sesamum indicum |
| PubChem | 85328110 |
| LOTUS | LTS0228122 |
| wikiData | Q105265032 |