Dataset

(1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one[6]

This dataset contains NMR spectra obtained for the sample containing (1E,4Z,6E)-5-hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)hepta-1,4,6-trien-3-one

InChI	InChI=1S/C21H20O6/c1-26-20-11-14(5-9-18(20)24)3-7-16(22)13-17(23)8-4-15-6-10-19(25)21(12-15)27-2/h3-13,22,24-25H,1-2H3/b7-3+,8-4+,16-13-
SMILES	COC1=C(O)C=CC(/C=C/C(=O)/C=C(O)/C=C/C2=CC=C(O)C(OC)=C2)=C1
InChI Key	ZIUSSTSXXLLKKK-KOBPDPAPSA-N
Molecular Formula	C21H20O6
Exact Mass	368.400 g/mol

Data and Resources

Field	Value
DOI	10.57992/nmrxiv.p42.s1324.d5840
License URL	https://creativecommons.org/licenses/by/4.0/legalcode
Source	https://nmrxiv.org/D5840
Version
Author	Peter Spiteller
Maintainer
Language	english
MetadataPublished	2025-08-31T17:42:30.000000Z
Related Molecule

Field	Value
Measurement Technique
Measurement Variables	NMR solvent : acquisition nucleus : NMR spectrum by dimensionality : NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : Spectral Width : number of data points : points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
5281767	PubChem
PD000922	ProbesDrugs
14901787	PubChem: Thomson Pharma
Curcumin	Selleck
curcumin	Atlas
5757222	eMolecules
67707	Brenda
ZINC000100067274	ZINC
SCHEMBL242412	SureChEMBL
10027206	NMRShiftDB
CURCUMIN	DailyMed
CURCUMIN	rxnorm
E-100	clinicaltrials
CURCUMIN	clinicaltrials
E 100	clinicaltrials
BINMEQ	CCDC
191758	BindingDB
J755.635G	Nikkaji
J845.469H	Nikkaji
J3.265.608K	Nikkaji
CHEMBL116438	ChEMBL
C10443	KEGG Ligand
The data in this table is sourced from UniChem at EBI.