Dataset
![molecular Image]()
Magnolol
Chemical Info
| InChI | InChI=1S/C18H18O2/c1-3-5-13-7-9-17(19)15(11-13)16-12-14(6-4-2)8-10-18(16)20/h3-4,7-12,19-20H,1-2,5-6H2 |
|---|---|
| SMILES | OC1=C(C=C(CC=C)C=C1)C1=C(O)C=CC(CC=C)=C1 |
| InChI Key | VVOAZFWZEDHOOU-UHFFFAOYSA-N |
| Molecular Formula | C18H18O2 |
| Exact Mass | 266.340 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-PR303557 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T20:41:46.874402 |
| MetadataModified | 2025-02-09T17:47:20.709559 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| C10651 | KEGG Ligand |
| CHEMBL180920 | ChEMBL |
| HY-N0163 | MedChemExpress |
| 6643 | ChEBI |
| DTXSID0044076 | EPA CompTox Dashboard |
| 78304 | BindingDB |
| J277.749E | Nikkaji |
| CIPXII | CCDC |
| HMDB0254305 | Human Metabolome Database |
| ZINC000000001645 | ZINC |
| CB9265352 | ChemicalBook |
| 193015 | Brenda |
| 16855 | Brenda |
| MCULE-1351244567 | Mcule |
| 14774834 | PubChem: Thomson Pharma |
| 72300 | PubChem |
| 60060687 | NMRShiftDB |
| PD010789 | ProbesDrugs |
| Magnolol(2,2-Bichavicol) | Selleck |
| 001E35HGVF | FDA SRS |
| 528-43-8 | ACToR |
| SCHEMBL132477 | SureChEMBL |
| MLO | PDBe |
| 1935912 | eMolecules |
| The data in this table is sourced from UniChem at EBI. | |