Dataset
![molecular Image]()
Biochanin A
Chemical Info
| InChI | InChI=1S/C16H12O5/c1-20-11-4-2-9(3-5-11)12-8-21-14-7-10(17)6-13(18)15(14)16(12)19/h2-8,17-18H,1H3 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C1=COC2=CC(O)=CC(O)=C2C1=O |
| InChI Key | WUADCCWRTIWANL-UHFFFAOYSA-N |
| Molecular Formula | C16H12O5 |
| Exact Mass | 284.267 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-PR302112 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T20:43:27.744085 |
| MetadataModified | 2024-01-11T20:43:27.907597 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 481798 | eMolecules |
| ZINC000018847037 | ZINC |
| 105595 | Brenda |
| HMDB0002338 | Human Metabolome Database |
| MTBLC17574 | Metabolights |
| CB8474490 | ChemicalBook |
| DB15334 | DrugBank |
| 5280373 | PubChem |
| 60022417 | NMRShiftDB |
| PD001613 | ProbesDrugs |
| U13J6U390T | FDA SRS |
| 14799798 | PubChem: Thomson Pharma |
| SCHEMBL61258 | SureChEMBL |
| Biochanin-A(4-Methylgenistein) | Selleck |
| 491-80-5 | ACToR |
| MCULE-6764919720 | Mcule |
| 9461 | BindingDB |
| J11.761G | Nikkaji |
| IHAHIL | CCDC |
| 1435 | Brenda |
| HY-14595 | MedChemExpress |
| DTXSID1022394 | EPA CompTox Dashboard |
| LMPK12050229 | LipidMaps |
| C00814 | KEGG Ligand |
| 49684192 | PubChem: Drugs of the Future |
| CHEMBL131921 | ChEMBL |
| QSO | PDBe |
| 17574 | ChEBI |
| 2829 | Guide to Pharmacology |
| The data in this table is sourced from UniChem at EBI. | |