Rhamnosyllactone B1
| Internal ID | 707e0429-0439-493f-a507-73327ea55f9e |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > O-glycosyl compounds |
| IUPAC Name | (3E)-4-(hydroxymethyl)-3-[(E)-1-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybut-2-enylidene]oxolan-2-one |
| SMILES (Canonical) | CC=CC(=C1C(COC1=O)CO)OC2C(C(C(C(O2)C)O)O)O |
| SMILES (Isomeric) | C/C=C/C(=C\1/C(COC1=O)CO)/O[C@H]2[C@@H]([C@@H]([C@H]([C@@H](O2)C)O)O)O |
| InChI | InChI=1S/C15H22O8/c1-3-4-9(10-8(5-16)6-21-14(10)20)23-15-13(19)12(18)11(17)7(2)22-15/h3-4,7-8,11-13,15-19H,5-6H2,1-2H3/b4-3+,10-9+/t7-,8?,11-,12+,13+,15-/m0/s1 |
| InChI Key | NRMVSHQJNSVBEY-HXYJGVIUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C15H22O8 |
| Molecular Weight | 330.33 g/mol |
| Exact Mass | 330.13146766 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | -1.10 |
| (3E)-4-(Hydroxymethyl)-3-[(E)-1-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxybut-2-enylidene]oxolan-2-one |
| 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 | 97.17% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.21% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.74% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 91.84% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.83% | 97.09% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.45% | 89.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.76% | 96.09% |
| CHEMBL3714130 | P46095 | G-protein coupled receptor 6 | 86.75% | 97.36% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 86.46% | 94.73% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.81% | 100.00% |
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.
| There are no matching plants. |
| PubChem | 10314546 |
| LOTUS | LTS0137881 |
| wikiData | Q105184654 |