Dataset
2',4'-Dihydroxychalcone
Chemical Info
InChI | InChI=1S/C15H12O3/c16-12-7-8-13(15(18)10-12)14(17)9-6-11-4-2-1-3-5-11/h1-10,16,18H/b9-6+ |
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SMILES | C1(=C(C(=C(C(=C1[H])[H])/C(=C(/C(=O)C2=C(C(=C(C(=C2[H])[H])O[H])[H])O[H])\[H])/[H])[H])[H])[H] |
InChI Key | JUMSUVHHUVPSOY-RMKNXTFCSA-N |
Molecular Formula | C15H12O3 |
Exact Mass | 240.079 g/mol |
Data and Resources
Metadata Information
Field | Value |
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DOI | |
License URL | https://creativecommons.org/licenses/by-nc-sa/4.0 |
Source | https://massbank.eu/MassBank/RecordDisplay?id=MSBNK-BS-BS003775 |
Version | |
Author | |
Maintainer | |
Language | |
MetadataCreated | 2024-01-11T12:35:18.679815 |
MetadataModified | 2024-01-11T12:35:18.838003 |
MetadataPublished | 2017-12-01 |
Field | Value |
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Measurement Technique | liquid chromatography-mass spectrometry |
Measurement Variables |
Data-Source Molecule ID | Data-Source |
---|---|
CHEMBL105310 | ChEMBL |
LMPK12120016 | LipidMaps |
ZINC000004252553 | ZINC |
50042987 | BindingDB |
56867 | Brenda |
12290 | Brenda |
5376979 | PubChem |
60026831 | NMRShiftDB |
15415875 | PubChem: Thomson Pharma |
1776-30-3 | ACToR |
25515-43-9 | ACToR |
PD000608 | ProbesDrugs |
SCHEMBL127341 | SureChEMBL |
J72.675C | Nikkaji |
FAJXIX | CCDC |
J1.353.843C | Nikkaji |
The data in this table is sourced from UniChem at EBI. |