Dataset
![molecular Image]()
Ellipticine
Chemical Info
| InChI | InChI=1S/C17H14N2/c1-10-14-9-18-8-7-12(14)11(2)17-16(10)13-5-3-4-6-15(13)19-17/h3-9,19H,1-2H3 |
|---|---|
| SMILES | CC1=C2NC3=CC=CC=C3C2=C(C)C2=CN=CC=C12 |
| InChI Key | CTSPAMFJBXKSOY-UHFFFAOYSA-N |
| Molecular Formula | C17H14N2 |
| Exact Mass | 246.313 g/mol |
Data and Resources
Metadata Information
| Field | Value |
|---|---|
| DOI | |
| License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
| Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-RIKEN-PR301233 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T19:32:43.499678 |
| MetadataModified | 2025-02-09T18:29:02.386786 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL123 | ChEMBL |
| HY-15753 | MedChemExpress |
| 29575 | Brenda |
| 50004233 | BindingDB |
| ZINC000001846592 | ZINC |
| J6.591I | Nikkaji |
| HMDB0251751 | Human Metabolome Database |
| ELLIPT | CCDC |
| DTXSID30199855 | EPA CompTox Dashboard |
| C09154 | KEGG Ligand |
| 3213 | PubChem |
| CB6746832 | ChemicalBook |
| 60015881 | NMRShiftDB |
| PD015178 | ProbesDrugs |
| DB17026 | DrugBank |
| 14798509 | PubChem: Thomson Pharma |
| LSM-4842 | LINCS |
| 519-23-3 | ACToR |
| SCHEMBL138079 | SureChEMBL |
| 117VLW7484 | FDA SRS |
| 509337 | eMolecules |
| MTBLC4776 | Metabolights |
| 6520 | Brenda |
| 43500 | Brenda |
| 9326 | Brenda |
| 4776 | ChEBI |
| The data in this table is sourced from UniChem at EBI. | |