(1S,4S,5R,6S,7R,9S,11S)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol
| Internal ID | 48aa2f53-123a-4e9a-ba0c-6e8e9e55eba1 |
| Taxonomy | Lipids and lipid-like molecules > Prenol lipids > Monoterpenoids > Iridoids and derivatives |
| IUPAC Name | (1S,4S,5R,6S,7R,9S,11S)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol |
| SMILES (Canonical) | COC1CC2C3C(O1)OCC3(C(C2O)Cl)O |
| SMILES (Isomeric) | CO[C@@H]1C[C@@H]2[C@@H]3[C@H](O1)OC[C@@]3([C@@H]([C@H]2O)Cl)O |
| InChI | InChI=1S/C10H15ClO5/c1-14-5-2-4-6-9(16-5)15-3-10(6,13)8(11)7(4)12/h4-9,12-13H,2-3H2,1H3/t4-,5+,6-,7+,8-,9+,10-/m1/s1 |
| InChI Key | LEJFNTAYIXQPJP-NEYBOIOJSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C10H15ClO5 |
| Molecular Weight | 250.67 g/mol |
| Exact Mass | 250.0608013 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | -0.50 |
| There are no found synonyms. |
![2D Structure of (1S,4S,5R,6S,7R,9S,11S)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol](https://plantaedb.com/storage/docs/compounds/2023/11/1s4s5r6s7r9s11s-5-chloro-9-methoxy-210-dioxatricyclo5310411undecane-46-diol.jpg "2D Structure of (1S,4S,5R,6S,7R,9S,11S)-5-chloro-9-methoxy-2,10-dioxatricyclo[5.3.1.04,11]undecane-4,6-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.06% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.84% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.93% | 91.11% |
| CHEMBL204 | P00734 | Thrombin | 91.20% | 96.01% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 87.16% | 95.93% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 87.05% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 86.77% | 96.77% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.75% | 92.94% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.26% | 90.17% |
| CHEMBL2345 | P51812 | Ribosomal protein S6 kinase alpha 3 | 84.25% | 95.64% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.72% | 97.25% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.48% | 92.62% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.08% | 89.63% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.64% | 94.00% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.53% | 97.14% |
| CHEMBL218 | P21554 | Cannabinoid CB1 receptor | 80.29% | 96.61% |
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 | 14413748 |
| LOTUS | LTS0093577 |
| wikiData | Q105150597 |