Xanthohumol
1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
Also Known As: Xanthohumol|KS-00000H9J|Xanthohumol from hop (Humulus lupulus)|5,4'-Dihydroxy-3,6,7-trimethoxyflavone|1-[2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]-3-(4-hydroxyphenyl)-2-propen-1-one|2',4,4'-Trihydroxy-3'-prenyl-6'-methoxychalcone|1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one|(E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one|1-(2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one|(2e)-1-[2,4-dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl]- 3-(4-hydroxyphenyl)-2-propen-1-one|1-(2,4-Dihydroxy-6-methoxy-3-(3-methyl-2-buten-1-yl)phenyl)-3-(4-hydroxyphenyl)-2-propen-1-one|1-(2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one|1-[2,4-DIHYDROXY-6-METHOXY-3-(3-METHYLBUT-2-EN-1-YL)PHENYL]-3-(4-HYDROXYPHENYL)PROP-2-EN-1-ONE
| Molecular Formula | C21H22O5 |
|---|---|
| Molecular Weight | 354.14673 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 87.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.14673 |
| Monoisotopic Mass | 354.14673 |
| Heavy Atoms | 26 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 569-83-5 |
|---|---|
| SMILES | CC(=CCC1=C(C(=C(C=C1O)OC)C(=O)C=CC2=CC=C(C=C2)O)O)C |
| InChIKey | ORXQGKIUCDPEAJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Xanthohumol (CAS 569-83-5), with molecular formula C21H22O5 and molecular weight 354.14673 g/mol. IUPAC: 1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-enyl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one.
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