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xanthohumol

MNXM9236 is deprecated and here replaced by MNXM741470
!!! Alternative mappings exist !!!
PropertiesImage
MNX_IDMNXM741470 Image of MNXM741470
referencechebi:66331
formulaC21H22O5
global charge0
mol weight354.402
InChIKeyORXQGKIUCDPEAJ-YRNVUSSQSA-N
InChIInChI=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+
SMILESCOC1=CC(O)=C(CC=C(C)C)C(O)=C1C(=O)/C=C/C1=CC=C(O)C=C1
MNX internals
InChI (mnx)InChI=1/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+ Image of MNXM741470
SMILES (mnx)[CH3:1][C:13]([CH3:2])=[CH:4][CH2:10][C:16]1=[C:21]([OH:25])[C:20]([C:17](/[CH:11]=[CH:7]/[C:14]2=[CH:6][CH:9]=[C:15]([OH:22])[CH:8]=[CH:5]2)=[O:23])=[C:19]([O:26][CH3:3])[CH:12]=[C:18]1[OH:24]
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)5
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:66331
chebi:66331
ORXQGKIUCDPEAJ-YRNVUSSQSA-N 		xanthohumol
(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

lipidmaps:LMPK12120294
lipidmapsM:LMPK12120294
ORXQGKIUCDPEAJ-YRNVUSSQSA-N 		Xanthohumol

kegg.compound:C16417
keggC:C16417
ORXQGKIUCDPEAJ-YRNVUSSQSA-N 		Xanthohumol
(2E)-1-[2,4-Dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)phenyl]-3-(4-hydroxyphenyl)prop-2-en-1-one
hmdb:HMDB0037479
ORXQGKIUCDPEAJ-YRNVUSSQSA-N 		Xanthohumol
(2E)-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-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
2',4,4'-Trihydroxy-6'-methoxy-3'-prenylchalcone
Desmethylxanthohumol
xanthohumol

sabiork.compound:31533
sabiorkM:31533
ORXQGKIUCDPEAJ-YRNVUSSQSA-N 		Xanthohumol
(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

seed.compound:cpd15123
seedM:cpd15123
ORXQGKIUCDPEAJ-YRNVUSSQSA-N 		Xanthohumol
(2E)-1-[2,4-dihydroxy-6-methoxy-3-(3-methylbut-2-en-1-yl)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
2',4,4'-trihydroxy-6'-methoxy-3-prenylchalcone
xanthohumol

CHEBI:134289
chebi:134289
ORXQGKIUCDPEAJ-YRNVUSSQSA-M 		xanthohumol(1-)
3-hydroxy-6-[(2E)-3-(4-hydroxyphenyl)prop-2-enoyl]-5-methoxy-2-(3-methylbut-2-en-1-yl)phenolate

metacyc.compound:CPD-7119
metacycM:CPD-7119
ORXQGKIUCDPEAJ-YRNVUSSQSA-M 		xanthohumol
(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

hmdb:HMDB37479
keggC:M_C16417
seedM:M_cpd15123 		secondary/obsolete/fantasy identifier