Dataset
![molecular Image]()
Osthole
Chemical Info
| InChI | InChI=1S/C15H16O3/c1-10(2)4-7-12-13(17-3)8-5-11-6-9-14(16)18-15(11)12/h4-6,8-9H,7H2,1-3H3 |
|---|---|
| SMILES | COC1=C(CC=C(C)C)C2=C(C=CC(=O)O2)C=C1 |
| InChI Key | MBRLOUHOWLUMFF-UHFFFAOYSA-N |
| Molecular Formula | C15H16O3 |
| Exact Mass | 244.290 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-PR303509 |
| Version | |
| Author | |
| Maintainer | |
| Language | |
| MetadataCreated | 2024-01-11T20:40:25.270633 |
| MetadataModified | 2024-01-11T20:40:25.437565 |
| MetadataPublished | 2019-03-28 |
| Field | Value |
|---|---|
| Measurement Technique | liquid chromatography-mass spectrometry |
| Measurement Variables |
| Data-Source Molecule ID | Data-Source |
|---|---|
| CHEMBL52229 | ChEMBL |
| C09280 | KEGG Ligand |
| 873594 | eMolecules |
| MTBLC69832 | Metabolights |
| 10302 | Guide to Pharmacology |
| 10017715 | NMRShiftDB |
| CB7454402 | ChemicalBook |
| 213284 | Brenda |
| 50240512 | BindingDB |
| OSTHOL | rxnorm |
| A0O | PDBe |
| ZINC000000000566 | ZINC |
| 69832 | ChEBI |
| DTXSID20197507 | EPA CompTox Dashboard |
| HY-N0054 | MedChemExpress |
| 10228 | PubChem |
| PD010781 | ProbesDrugs |
| XH1TI1759C | FDA SRS |
| 15122018 | PubChem: Thomson Pharma |
| 484-12-8 | ACToR |
| SCHEMBL50436 | SureChEMBL |
| Osthole(Osthol) | Selleck |
| LSM-3762 | LINCS |
| HMDB0302150 | Human Metabolome Database |
| JAKFIK | CCDC |
| MCULE-5691054147 | Mcule |
| J12.542C | Nikkaji |
| The data in this table is sourced from UniChem at EBI. | |