Butein

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Systematic / IUPAC Name: (2E)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-2-propen-1-one

ID: Reference6222

Other Names: (E)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one;
(E)-2',3,4,4'-Terahydroxychalcone;
(2E)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one;
2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-, (2E)-;
2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)- ; more

Formula: C15H12O5

Class: Endogenous Metabolites Natural Products/Medicines

Spectral Data

Butein mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.

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Available MS Data

Used Instruments Orbitrap Elite
No. of Spectral Trees 1
No. of Spectra 4215
Tandem Spectra MS1, MS2, MS3, MS4, MS5, MS6
Ionization Methods NSI
Analyzers IT; FT
Last Modification 1/18/2017 8:44:44 AM
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Identificators

InChI InChI=1S/C15H12O5/c16-10-3-4-11(14(19)8-10)12(17)5-1-9-2-6-13(18)15(20)7-9/h1-8,16,18-20H/b5-1+
InChI Key AYMYWHCQALZEGT-ORCRQEGFSA-N
Canonical SMILES C1=CC(=C(C=C1C=CC(=O)C2=C(C=C(C=C2)O)O)O)O
CAS 487525
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Other Names (E)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one;
(E)-2',3,4,4'-Terahydroxychalcone;
(2E)-1-(2,4-Dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)prop-2-en-1-one;
2-Propen-1-one, 1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-, (2E)-;
2-Propen-1-one,1-(2,4-dihydroxyphenyl)-3-(3,4-dihydroxyphenyl)-;
Acrylophenone, 2',4'-dihydroxy-3-(3,4-dihydroxyphenyl)-;
2',3,4,4'-Tetrahydroxychalcone

In Other Databases

ChEMBL CHEMBL128000
PubChem 5281222
ChemIDPlus 000487525; 021849707
Wikipedia Butein
KEGG C08578
ChEBI CHEBI:3237
ChemSpider 4444634