Dataset
![molecular Image]()
1H--13C heteronuclear multiple bond coherence (13C-1H HMBC)
Chemical Info
| InChI | InChI=1S/C20H24N2O2/c1-3-13-12-22-9-7-14(13)10-19(22)20(23)16-6-8-21-18-5-4-15(24-2)11-17(16)18/h3-6,8,11,13-14,19-20,23H,1,7,9-10,12H2,2H3/t13-,14-,19-,20+/m0/s1 |
|---|---|
| SMILES | C=C[C@H]1CN2CC[C@H]1C[C@H]2[C@@H](c1ccnc2c1cc(OC)cc2)O |
| InChI Key | LOUPRKONTZGTKE-WZBLMQSHSA-N |
| Molecular Formula | C20H24N2O2 |
| Exact Mass | 324.417 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | 10.14272/LOUPRKONTZGTKE-WZBLMQSHSA-N/CHMO0001148 |
| License URL | |
| Source | https://www.chemotion-repository.net/inchikey/LOUPRKONTZGTKE-WZBLMQSHSA-N/CHMO0001148 |
| Version | |
| Author | Johannes Liermann |
| Maintainer | Chemotion Repository |
| Language | english |
| MetadataCreated | 2024-09-08T04:29:55.054310 |
| MetadataModified | 2024-09-08T04:29:55.054315 |
| MetadataPublished | 2024-08-13 |
| Field | Value |
|---|---|
| Measurement Technique | 1H–13C heteronuclear multiple bond coherence |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL170 | ChEMBL |
| 15854 | ChEBI |
| 229837 | Brenda |
| 50367247 | BindingDB |
| QUININE | DailyMed |
| QUININE DIHYDROCHLORIDE | rxnorm |
| QUININE BISULFATE | rxnorm |
| QUININE SALICYLATE | rxnorm |
| QUININE HYDROCHLORIDE | rxnorm |
| QUININE ASCORBATE | rxnorm |
| QUINATE | rxnorm |
| QUININE | rxnorm |
| QUININE SULFATE | rxnorm |
| QUALAQUIN | rxnorm |
| BIQUINATE | clinicaltrials |
| QUININE | clinicaltrials |
| QUININE BISULFATE | clinicaltrials |
| QUININE DIHYDROCHLORIDE | clinicaltrials |
| QUININE HYDROCHLORIDE | clinicaltrials |
| QUININE HYDROCHLORIDE DIHYDRATE | clinicaltrials |
| QUININE SULFATE | clinicaltrials |
| QUINAMM | clinicaltrials |
| QUINATE | clinicaltrials |
| HY-D0143 | MedChemExpress |
| 2510 | Guide to Pharmacology |
| DTXSID0044280 | EPA CompTox Dashboard |
| 4523 | DrugCentral |
| ZINC000003831404 | ZINC |
| J654.524F | Nikkaji |
| QI9 | PDBe |
| BOMDUC | CCDC |
| 229838 | Brenda |
| SCHEMBL27031 | SureChEMBL |
| 6843708 | eMolecules |
| 29549573 | eMolecules |
| 30151887 | eMolecules |
| 3034034 | PubChem |
| PD010011 | ProbesDrugs |
| GLS 1200 | clinicaltrials |
| GLS-1200 | clinicaltrials |
| GLS1200 | clinicaltrials |
| DB00468 | DrugBank |
| A7V27PHC7A | FDA SRS |
| 1407-83-6 | ACToR |
| 56480783 | PubChem: Thomson Pharma |
| 14797229 | PubChem: Thomson Pharma |
| 60004827 | NMRShiftDB |
| quinine | DailyMed |
| HMDB0014611 | Human Metabolome Database |
| 2219 | Brenda |
| MTBLC15854 | Metabolights |
| The data in this table is sourced from UniChem at EBI. | |