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(Q105145313)
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English
xanthohumol E
chemical compound
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Statements
instance of
type of chemical entity
0 references
subclass of
3-chromene
0 references
3',5'-C-substituted chalcone
0 references
mass
406.178023932
dalton
1 reference
based on heuristic
inferred from SMILES
chemical formula
C₂₅H₂₆O₅
0 references
canonical SMILES
O=C(C=CC1=CC=C(O)C=C1)C2=C(O)C(=C(O)C=3C=CC(OC32)(C)C)CC=C(C)C
0 references
isomeric SMILES
CC(C)=CCc1c(O)c2c(c(C(=O)/C=C/c3ccc(O)cc3)c1O)OC(C)(C)C=C2
1 reference
based on heuristic
inferred from InChI
found in taxon
Humulus lupulus
2 references
stated in
Prenylflavonoid variation in Humulus lupulus: distribution and taxonomic significance of xanthogalenol and 4'-O-methylxanthohumol
stated in
Prenylflavonoid variation in Humulus lupulus: distribution and taxonomic significance of xanthogalenol and 4'-O-methylxanthohumol
Identifiers
InChI
InChI=1S/C25H26O5/c1-15(2)5-11-18-22(28)19-13-14-25(3,4)30-24(19)21(23(18)29)20(27)12-8-16-6-9-17(26)10-7-16/h5-10,12-14,26,28-29H,11H2,1-4H3/b12-8+
0 references
InChIKey
KRZGSPKDWYNTHE-XYOKQWHBSA-N
0 references
PubChem CID
25245324
1 reference
stated in
PubChem
retrieved
26 December 2021
inferred from
InChIKey
ChEBI ID
175258
mapping relation type
exact match
1 reference
stated in
ChEBI release 2022-06-13
UniChem compound ID
31998955
1 reference
stated in
UniChem
Human Metabolome Database ID
HMDB0034917
1 reference
based on heuristic
inferred from InChIKey
KNApSAcK ID
C00014474
1 reference
based on heuristic
inferred from InChIKey
LIPID MAPS ID
LMPK12120263
1 reference
InChIKey
KRZGSPKDWYNTHE-XYOKQWHBSA-N
stated in
LIPID MAPS
retrieved
17 April 2021
reference URL
http://www.lipidmaps.org/rest/compound/lm_id/LM/all/download
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