(R)-(-)-Littorine
| Internal ID | 4f50021e-8ba0-4dae-b3b5-341f9d1bcf63 |
| Taxonomy | Alkaloids and derivatives > Tropane alkaloids |
| IUPAC Name | [(1R,5S)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-2-hydroxy-3-phenylpropanoate |
| SMILES (Canonical) | CN1C2CCC1CC(C2)OC(=O)C(CC3=CC=CC=C3)O |
| SMILES (Isomeric) | CN1[C@@H]2CC[C@H]1CC(C2)OC(=O)[C@@H](CC3=CC=CC=C3)O |
| InChI | InChI=1S/C17H23NO3/c1-18-13-7-8-14(18)11-15(10-13)21-17(20)16(19)9-12-5-3-2-4-6-12/h2-6,13-16,19H,7-11H2,1H3/t13-,14+,15?,16-/m1/s1 |
| InChI Key | FNRXUEYLFZLOEZ-VFSICIBPSA-N |
| Popularity | 16 references in papers |
| Molecular Formula | C17H23NO3 |
| Molecular Weight | 289.40 g/mol |
| Exact Mass | 289.16779360 g/mol |
| Topological Polar Surface Area (TPSA) | 49.80 Ų |
| XlogP | 2.70 |
| (R)-(-)-Littorine |
| Littorine |
| (R)-Endo-8-methyl-8-azabicyclo[3.2.1]octan-3-yl 2-hydroxy-3-phenylpropanoate |
| 19Q4V37F3R |
| [(1S,5R)-8-methyl-8-azabicyclo[3.2.1]octan-3-yl] (2R)-2-hydroxy-3-phenylpropanoate |
| R(-)-3.alpha.-(2-Hydroxy-3-phenylpropionyloxy)-tropane |
| UNII-19Q4V37F3R |
| 1.alpha.H,5.alpha.H-Tropan-3.alpha.-ol, 3-phenyl-L-lactate (ester) |
| BENZENEPROPANOIC ACID, .ALPHA.-HYDROXY-, (3-ENDO)-8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (.ALPHA.R)- |
| BENZENEPROPANOIC ACID, .ALPHA.-HYDROXY-, 8-METHYL-8-AZABICYCLO(3.2.1)OCT-3-YL ESTER, (3(R)-ENDO)- |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 98.41% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.13% | 98.95% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 94.95% | 94.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.13% | 94.62% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 90.62% | 90.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.99% | 95.56% |
| CHEMBL238 | Q01959 | Dopamine transporter | 88.20% | 95.88% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.57% | 97.25% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.45% | 86.33% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 86.94% | 100.00% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 86.33% | 94.08% |
| CHEMBL245 | P20309 | Muscarinic acetylcholine receptor M3 | 85.04% | 97.53% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.36% | 97.09% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.35% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.28% | 95.89% |
| CHEMBL5028 | O14672 | ADAM10 | 82.23% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 80.92% | 95.89% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.82% | 91.19% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 80.74% | 82.69% |
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.
| Anthocercis ilicifolia |
| Atropa belladonna |
| Datura stramonium |
| Duboisia leichhardtii |
| Duboisia myoporoides |
| Hyoscyamus albus |
| PubChem | 12311316 |
| LOTUS | LTS0072116 |
| wikiData | Q76422765 |