Lucuminoside
| Internal ID | 4f94f94f-9e08-4615-859c-b9eac44f897c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Cyanogenic glycosides |
| IUPAC Name | 2-phenyl-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyacetonitrile |
| SMILES (Canonical) | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C#N)C3=CC=CC=C3)O)O)O)O)O)O |
| SMILES (Isomeric) | C1C(C(C(C(O1)OCC2C(C(C(C(O2)OC(C#N)C3=CC=CC=C3)O)O)O)O)O)O |
| InChI | InChI=1S/C19H25NO10/c20-6-11(9-4-2-1-3-5-9)29-19-17(26)15(24)14(23)12(30-19)8-28-18-16(25)13(22)10(21)7-27-18/h1-5,10-19,21-26H,7-8H2 |
| InChI Key | YYYCJNDALLBNEG-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C19H25NO10 |
| Molecular Weight | 427.40 g/mol |
| Exact Mass | 427.14784599 g/mol |
| Topological Polar Surface Area (TPSA) | 182.00 Ų |
| XlogP | -2.60 |
| (R)-Lucumin |
| SCHEMBL5568770 |
| CHEBI:176069 |
| 2-phenyl-2-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxyoxan-2-yl)oxymethyl]oxan-2-yl]oxyacetonitrile |
| FT-0774927 |
| 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 | 98.62% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 95.49% | 90.17% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.56% | 96.09% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.27% | 95.93% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.56% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.69% | 89.62% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.44% | 97.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 84.71% | 94.73% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.67% | 96.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 83.84% | 95.83% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.82% | 86.33% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 83.20% | 94.62% |
| CHEMBL3475 | P05121 | Plasminogen activator inhibitor-1 | 82.77% | 83.00% |
| CHEMBL5957 | P21589 | 5'-nucleotidase | 82.71% | 97.78% |
| CHEMBL5028 | O14672 | ADAM10 | 82.27% | 97.50% |
| CHEMBL3091268 | Q92753 | Nuclear receptor ROR-beta | 82.27% | 95.50% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.18% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 81.05% | 95.56% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 80.54% | 94.08% |
| CHEMBL2360 | P00492 | Hypoxanthine-guanine phosphoribosyltransferase | 80.01% | 87.38% |
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.
| Clerodendrum grayi |
| Manilkara zapota |
| Pouteria sapota |
| Vicia sativa |
| Xeranthemum cylindraceum |
| PubChem | 4475723 |
| LOTUS | LTS0139656 |
| wikiData | Q105369013 |