loading...| Preferred Name |
xanthohumol |
|
| Synonyms |
(2E)-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 |
|
| Definitions |
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. |
|
| ID |
http://purl.obolibrary.org/obo/CHEBI_66331 |
|
| charge |
0 |
|
| definition |
A member of the class of chalcones that is trans-chalcone substituted by hydroxy groups at positions 4, 2' and 4', a methoxy group at position 6' and a prenyl group at position 3'. Isolated from Humulus lupulus, it induces apoptosis in human malignant glioblastoma cells. |
|
| formula |
C21H22O5 |
|
| hasDbXref |
HMDB:HMDB0037479 MetaCyc:CPD-7119 PMID:22111577 KNApSAcK:C00007099 LIPID_MAPS_instance:LMPK12120294 PMID:15550272 Reaxys:2226282 Wikipedia:Xanthohumol PMID:15723722 PMID:19634869 CAS:6754-58-1 PMID:14670594 Patent:WO2009126320 PMID:15679315 Patent:EP2579862 KEGG:C16417 |
|
| hasExactSynonym |
(2E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one |
|
| hasOBONamespace |
chebi_ontology |
|
| hasRelatedSynonym |
2',4,4'-trihydroxy-6'-methoxy-3'-prenylchalcone |
|
| id |
CHEBI:66331 |
|
| 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+ |
|
| inchikey |
ORXQGKIUCDPEAJ-YRNVUSSQSA-N |
|
| inSubset | ||
| label |
xanthohumol xanthohumol |
|
| mass |
354.39640 |
|
| monoisotopicmass |
354.14672 |
|
| notation |
CHEBI:66331 |
|
| prefLabel |
xanthohumol |
|
| smiles |
COc1cc(O)c(CC=C(C)C)c(O)c1C(=O)\C=C\c1ccc(O)cc1 |
|
| subClassOf |