Sucro-neolambertillin
| Internal ID | 63113f6b-04ee-4ff9-be56-b3fc4ab12f05 |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Glycosyl compounds > Phenolic glycosides |
| IUPAC Name | 6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxy-7-hydroxy-3-methylbenzo[h]chromen-2-one |
| SMILES (Canonical) | CC1=CC2=CC(=C3C(=C2OC1=O)C=CC=C3O)OC4(C(C(C(O4)(CO)OC5C(C(C(C(O5)CO)O)O)O)O)O)CO |
| SMILES (Isomeric) | CC1=CC2=CC(=C3C(=C2OC1=O)C=CC=C3O)O[C@]4([C@H]([C@@H]([C@](O4)(CO)O[C@@H]5[C@@H]([C@H]([C@@H]([C@H](O5)CO)O)O)O)O)O)CO |
| InChI | InChI=1S/C26H30O15/c1-10-5-11-6-14(16-12(3-2-4-13(16)30)20(11)38-23(10)36)39-25(8-28)21(34)22(35)26(9-29,41-25)40-24-19(33)18(32)17(31)15(7-27)37-24/h2-6,15,17-19,21-22,24,27-35H,7-9H2,1H3/t15-,17-,18+,19-,21+,22+,24-,25-,26-/m1/s1 |
| InChI Key | HABCTTDPKMSEOW-FPAQFCJTSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C26H30O15 |
| Molecular Weight | 582.50 g/mol |
| Exact Mass | 582.15847025 g/mol |
| Topological Polar Surface Area (TPSA) | 245.00 Ų |
| XlogP | -1.00 |
| CHEBI:215900 |
| 6-[(2R,3S,4S,5R)-3,4-dihydroxy-2,5-bis(hydroxymethyl)-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxolan-2-yl]oxy-7-hydroxy-3-methylbenzo[h]chromen-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 | 99.45% | 91.11% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 97.61% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.90% | 94.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.25% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 95.95% | 94.73% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 93.76% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.92% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.58% | 86.33% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.56% | 99.23% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 90.83% | 91.49% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.34% | 85.14% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 89.22% | 96.21% |
| CHEMBL2581 | P07339 | Cathepsin D | 89.09% | 98.95% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 88.51% | 96.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 88.34% | 99.15% |
| CHEMBL4530 | P00488 | Coagulation factor XIII | 83.80% | 96.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.00% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.82% | 99.17% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 82.64% | 96.00% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 82.10% | 95.83% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.91% | 97.09% |
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.
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| There are no matching plants. |
| PubChem | 101836204 |
| LOTUS | LTS0121792 |
| wikiData | Q77498765 |