3,6-Dihydroxytropane
| Internal ID | 9e35c359-bc35-4bcf-934e-2eabc2bddee4 |
| Taxonomy | Alkaloids and derivatives > Tropane alkaloids |
| IUPAC Name | (1R,5S)-8-methyl-8-azabicyclo[3.2.1]octane-3,6-diol |
| SMILES (Canonical) | CN1C2CC(CC1C(C2)O)O |
| SMILES (Isomeric) | CN1[C@@H]2CC(C[C@H]1C(C2)O)O |
| InChI | InChI=1S/C8H15NO2/c1-9-5-2-6(10)4-7(9)8(11)3-5/h5-8,10-11H,2-4H2,1H3/t5-,6?,7+,8?/m1/s1 |
| InChI Key | QWVUOVZJBNQSNS-RRABCLCVSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C8H15NO2 |
| Molecular Weight | 157.21 g/mol |
| Exact Mass | 157.110278721 g/mol |
| Topological Polar Surface Area (TPSA) | 43.70 Ų |
| XlogP | -0.20 |
| 3,6-Dihydroxytropane |
| SCHEMBL4000127 |
| QWVUOVZJBNQSNS-RRABCLCVSA-N |
| 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 | 92.96% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 88.78% | 97.21% |
| CHEMBL238 | Q01959 | Dopamine transporter | 86.56% | 95.88% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 86.21% | 97.25% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.28% | 98.95% |
| CHEMBL1907598 | P05106 | Integrin alpha-V/beta-3 | 81.03% | 95.71% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 80.48% | 97.09% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 80.35% | 96.95% |
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.
| Datura stramonium |
| PubChem | 68871695 |
| LOTUS | LTS0071817 |
| wikiData | Q105229421 |