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Calebin A

PropertiesImage
MNX_IDMNXM120084 Image of MNXM120084
referencechebi:175904
formulaC21H20O7
global charge0
mol weight384.384
InChIKeyUYEWRTKHKAVRDI-ASVGJQBISA-N
InChIInChI=1S/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+
SMILESCOC1=C(O)C=CC(/C=C/C(=O)COC(=O)/C=C/C2=CC(OC)=C(O)C=C2)=C1
MNX internals
InChI (mnx)InChI=1/C21H20O7/c1-26-19-11-14(4-8-17(19)23)3-7-16(22)13-28-21(25)10-6-15-5-9-18(24)20(12-15)27-2/h3-12,23-24H,13H2,1-2H3/b7-3+,10-6+ Image of MNXM120084
SMILES (mnx)[CH3:1][O:26][C:19]1=[C:17]([OH:23])[CH:8]=[CH:4][C:14](/[CH:3]=[CH:7]/[C:16]([CH2:13][O:28][C:21](/[CH:10]=[CH:6]/[C:15]2=[CH:12][C:20]([O:27][CH3:2])=[C:18]([OH:24])[CH:9]=[CH:5]2)=[O:25])=[O:22])=[CH:11]1
Parent-child relations graph
Occurences in reactions#reac
in my sandbox 0
in MNXref (generic)0
in models (compartimentalized) 0
Similar chemical compounds in external resources
IdentifierDescription

CHEBI:175904
chebi:175904
UYEWRTKHKAVRDI-ASVGJQBISA-N 		Calebin A
[(E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
hmdb:HMDB0040134
UYEWRTKHKAVRDI-ASVGJQBISA-N 		Calebin A
(3E)-4-(4-Hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid
(3E)-4-(4-hydroxy-3-methoxyphenyl)-2-oxobut-3-en-1-yl (2E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
4''-(3'''-methoxy-4'''-hydroxyphenyl)-2''-oxo-3''-enebutanyl 3-(3'-methoxy-4'-hydroxyphenyl)propenoate
Calebin-a

hmdb:HMDB40134 		secondary/obsolete/fantasy identifier