cis-Mulberroside A
| Internal ID | 62146fc2-4178-4f87-afcc-8d5fe25201e4 |
| Taxonomy | Phenylpropanoids and polyketides > Stilbenes > Stilbene glycosides |
| IUPAC Name | (2S,3R,4S,5S,6R)-2-[3-hydroxy-4-[(Z)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C26H32O14/c27-9-17-19(31)21(33)23(35)25(39-17)37-14-4-3-12(16(30)8-14)2-1-11-5-13(29)7-15(6-11)38-26-24(36)22(34)20(32)18(10-28)40-26/h1-8,17-36H,9-10H2/b2-1-/t17-,18-,19-,20-,21+,22+,23-,24-,25-,26-/m1/s1 |
| InChI Key | HPSWAEGGWLOOKT-GSNCJTLYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C26H32O14 |
| Molecular Weight | 568.50 g/mol |
| Exact Mass | 568.17920569 g/mol |
| Topological Polar Surface Area (TPSA) | 239.00 Ų |
| XlogP | -0.80 |
| 166734-06-1 |
| beta-D-Glucopyranoside 3-[(1Z)-2-[4-(beta-D-glucopyranosyloxy)-2-hydroxyphenyl]ethenyl]-5-hydroxyphenyl |
| (2S,3R,4S,5S,6R)-2-[3-hydroxy-4-[(Z)-2-[3-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol |
| (2S,3R,4S,5S,6R)-2-(3-Hydroxy-4-((Z)-3-hydroxy-5-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yl)oxy)styryl)phenoxy)-6-(hydroxymethyl)tetrahydro-2H-pyran-3,4,5-triol |
| starbld0001036 |
| HY-N0619A |
| DTXSID401316062 |
| AKOS040760074 |
| FS-8144 |
| CS-0144083 |
| 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 | 99.66% | 91.11% |
| CHEMBL3194 | P02766 | Transthyretin | 94.28% | 90.71% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 93.91% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.89% | 94.73% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 91.30% | 86.92% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.70% | 95.56% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 90.18% | 97.36% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.92% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.36% | 89.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.72% | 97.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.38% | 95.93% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.98% | 91.49% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.74% | 99.17% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.23% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.51% | 96.09% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.86% | 91.71% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.29% | 95.89% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.08% | 99.15% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.44% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.02% | 90.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.95% | 95.83% |
| CHEMBL5678 | P34947 | G protein-coupled receptor kinase 5 | 80.88% | 88.00% |
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.
| Morus alba |
| PubChem | 46240058 |
| LOTUS | LTS0116192 |
| wikiData | Q105031876 |