Xanthohumol
Xanthohumol Structure
Systematic / IUPAC Name: (2E)-1-[2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one
ID: Reference5835
Other Names:
Xanthohumo;
(E)-1-[2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one;
(2E)-1-[2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one;
1-(2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxyphenyl)-2-propen-1-one;
1-(2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
; more
Formula: C21H22O5
Class: Endogenous Metabolites
Spectral Data
Xanthohumol mass spectral data can be found in a separate interface. The data are manually curated and of the highest quality.
Available MS Data
| Used Instruments | Orbitrap Fusion Lumos with ETD LBP ; Q Exactive Orbitrap |
| No. of Spectral Trees | 2 |
| No. of Spectra | 281 |
| Tandem Spectra | MS1, MS2 |
| Ionization Methods | ESI; NSI |
| Analyzers | FT |
| Last Modification | 10/26/2016 1:34:54 PM |
Identificators
| InChI | InChI=1S/C21H22O5/c1-13(2)4-10-16-18(24)12-19(26-3)20(21(16)25)17(23)11-7-14-5-8-15(22)9-6-14/h4-9,11-12,22,24-25H,10H2,1-3H3/b11-7+ |
| InChI Key | ORXQGKIUCDPEAJ-YRNVUSSQSA-N |
| Canonical SMILES | CC(=CCC1=C(C=C(C(=C1O)C(=O)C=CC2=CC=C(C=C2)O)OC)O)C |
| CAS | 6754581 |
| Splash | |
| Other Names |
Xanthohumo; (E)-1-[2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one; (2E)-1-[2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one; 1-(2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxyphenyl)-2-propen-1-one; 1-(2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one; 2',4,4'-Trihydroxy-6'-methoxy-3'-prenylchalcone; 2-Propen-1-one, 1-(2,4-hydroxy-6-methoxy-3-(3-methyl-2-butenyl)phenyl)-3-(4-hydroxyphenyl)-, (E)- |
In Other Databases
| ChEBI | CHEBI:66331; CHEBI:94745 |
| HMDb | HMDB37479 |
| ChemIDPlus | 006754581 |
| ChemSpider | 555077 |
| PubChem | 639665 |
| ChEMBL | CHEMBL253896 |
| KEGG | C16417 |
| Wikipedia | Xanthohumol |