Sarmenoside II
| Internal ID | e1026c35-ce07-4c49-8eef-ef8b0687c2e7 |
| Taxonomy | Phenylpropanoids and polyketides > Flavonoids > Flavonoid glycosides > Flavonoid O-glycosides > Flavonoid-7-O-glycosides |
| IUPAC Name | [(2R,3S,4S,5R,6S)-6-[(2S,3R,4R,5R,6S)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate |
| SMILES (Canonical) | CC1C(C(C(C(O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)OC4C(C(C(C(O4)C)O)O)OC5C(C(C(C(O5)COC(=O)C=CC6=CC=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O)O)O)O |
| SMILES (Isomeric) | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=CC(=C3C(=C2)OC(=C(C3=O)O[C@H]4[C@@H]([C@@H]([C@H]([C@@H](O4)C)O)O)O[C@H]5[C@@H]([C@H]([C@@H]([C@H](O5)COC(=O)/C=C/C6=CC=C(C=C6)O)O)O)O)C7=CC(=C(C=C7)O)O)O)O)O)O |
| InChI | InChI=1S/C42H46O22/c1-15-28(48)32(52)35(55)40(58-15)60-20-12-23(46)27-24(13-20)61-37(18-6-9-21(44)22(45)11-18)38(31(27)51)63-42-39(34(54)29(49)16(2)59-42)64-41-36(56)33(53)30(50)25(62-41)14-57-26(47)10-5-17-3-7-19(43)8-4-17/h3-13,15-16,25,28-30,32-36,39-46,48-50,52-56H,14H2,1-2H3/b10-5+/t15-,16-,25+,28-,29-,30+,32+,33-,34+,35+,36+,39+,40-,41-,42-/m0/s1 |
| InChI Key | QQEHQKHTNVQKRA-YIMCHTOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C42H46O22 |
| Molecular Weight | 902.80 g/mol |
| Exact Mass | 902.24807309 g/mol |
| Topological Polar Surface Area (TPSA) | 351.00 Ų |
| XlogP | -0.30 |
| 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 |
|---|---|---|---|---|
| CHEMBL1951 | P21397 | Monoamine oxidase A | 99.90% | 91.49% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.71% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 98.93% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 98.59% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.00% | 98.95% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 93.02% | 95.64% |
| CHEMBL3194 | P02766 | Transthyretin | 92.81% | 90.71% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.75% | 94.73% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.97% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.03% | 96.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.63% | 99.15% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.60% | 96.09% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 89.14% | 80.78% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 88.98% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.91% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 86.67% | 85.14% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 85.96% | 97.36% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.19% | 95.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.92% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 84.74% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.51% | 94.00% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 83.46% | 94.80% |
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.
| Sedum sarmentosum |
| PubChem | 16751888 |
| LOTUS | LTS0079890 |
| wikiData | Q105225779 |