Dataset
Honokiol
Chemical Info
InChI | InChI=1S/C18H18O2/c1-3-5-13-7-9-18(20)16(11-13)14-8-10-17(19)15(12-14)6-4-2/h3-4,7-12,19-20H,1-2,5-6H2 |
---|---|
SMILES | OC1=C(CC=C)C=C(C=C1)C1=C(O)C=CC(CC=C)=C1 |
InChI Key | FVYXIJYOAGAUQK-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-PR307482 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T20:44:15.869412 |
MetadataModified | 2024-01-11T20:44:16.021124 |
MetadataPublished | 2019-03-28 |
Field | Value |
---|---|
Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
Y4T | PDBe |
PD002976 | ProbesDrugs |
11513CCO0N | FDA SRS |
LSM-6013 | LINCS |
35354-74-6 | ACToR |
SCHEMBL133034 | SureChEMBL |
Honokiol | Selleck |
16887359 | PubChem: Thomson Pharma |
72303 | PubChem |
MCULE-5001549020 | Mcule |
10027246 | NMRShiftDB |
J138.358B | Nikkaji |
HMDB0253212 | Human Metabolome Database |
WIKFIF | CCDC |
50157304 | BindingDB |
HY-N0003 | MedChemExpress |
5759 | ChEBI |
DTXSID30188845 | EPA CompTox Dashboard |
ZINC000000001536 | ZINC |
13341 | Brenda |
CB2111629 | ChemicalBook |
CHEMBL16901 | ChEMBL |
C10630 | KEGG Ligand |
SAM001246690 | NIH Clinical Collection |
539203 | eMolecules |
The data in this table is sourced from UniChem at EBI. |