(1R,3R,6R,7S,12R,13S,14S)-12-(hydroxymethyl)-2,4,9,11-tetraoxatricyclo[8.4.0.03,7]tetradecane-6,7,13,14-tetrol
| Internal ID | c22b6488-9849-456d-8aed-e20b076fca7c |
| Taxonomy | Organic oxygen compounds > Organooxygen compounds > Carbohydrates and carbohydrate conjugates > Disaccharides |
| IUPAC Name | (1R,3R,6R,7S,12R,13S,14S)-12-(hydroxymethyl)-2,4,9,11-tetraoxatricyclo[8.4.0.03,7]tetradecane-6,7,13,14-tetrol |
| SMILES (Canonical) | C1C(C2(COC3C(C(C(C(O3)CO)O)O)OC2O1)O)O |
| SMILES (Isomeric) | C1[C@H]([C@]2(COC3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O[C@H]2O1)O)O |
| InChI | InChI=1S/C11H18O9/c12-1-4-6(14)7(15)8-9(19-4)18-3-11(16)5(13)2-17-10(11)20-8/h4-10,12-16H,1-3H2/t4-,5-,6-,7+,8-,9?,10-,11+/m1/s1 |
| InChI Key | KPCWJVBMVFRAMY-MVXIBVMZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C11H18O9 |
| Molecular Weight | 294.25 g/mol |
| Exact Mass | 294.09508215 g/mol |
| Topological Polar Surface Area (TPSA) | 138.00 Ų |
| XlogP | -3.40 |
| There are no found synonyms. |
![2D Structure of (1R,3R,6R,7S,12R,13S,14S)-12-(hydroxymethyl)-2,4,9,11-tetraoxatricyclo[8.4.0.03,7]tetradecane-6,7,13,14-tetrol](https://plantaedb.com/storage/docs/compounds/2023/11/406d33a0-85f1-11ee-9b4a-c32161113047.jpg "2D Structure of (1R,3R,6R,7S,12R,13S,14S)-12-(hydroxymethyl)-2,4,9,11-tetraoxatricyclo[8.4.0.03,7]tetradecane-6,7,13,14-tetrol")
| 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 | 95.70% | 91.11% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 94.60% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 90.87% | 97.09% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 89.47% | 96.09% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.78% | 97.25% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 87.35% | 94.45% |
| CHEMBL3589 | P55263 | Adenosine kinase | 87.10% | 98.05% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 86.93% | 90.17% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 85.25% | 98.75% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 83.44% | 96.95% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.86% | 100.00% |
| CHEMBL2072 | P35499 | Sodium channel protein type IV alpha subunit | 80.90% | 92.32% |
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.
| Hemsleya amabilis |
| PubChem | 101060128 |
| LOTUS | LTS0189484 |
| wikiData | Q105144115 |