Dataset

Curcumin annotated NMR 400 MHz DMSOd6 data.hsqc

NMR data for Curcumin Contains: 1D: 1H, 13C 2D: COSY, HSQC, HMBC Spin parameters for 1H and chemical shifts of carbon Attributed 1H, 13C spectra

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/h3-12,24-25H,13H2,1-2H3/b7-3+,8-4+
SMILES	COC1=CC(/C=C/C(=O)CC(=O)/C=C/C2=CC(OC)=C(O)C=C2)=CC=C1O
InChI Key	VFLDPWHFBUODDF-FCXRPNKRSA-N
Molecular Formula	C21H20O6
Exact Mass	368.400 g/mol

Data and Resources

Field	Value
DOI	10.57992/nmrxiv.p33.s190.d857
License URL	https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source	https://nmrxiv.org/D857
Version
Author	Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language	english
MetadataCreated	2024-04-22T15:31:07.712518
MetadataModified	2025-02-03T15:01:43.435682
MetadataPublished	2023-12-21 14:26:13
Related Molecule

Field	Value
Measurement Technique	heteronuclear single quantum coherence
Measurement Variables	NMR solvent : DMSO-D6 acquisition nucleus : 1H , 13C NMR spectrum by dimensionality : 2 NMR probe : Temperature : K magnetic field strength : Tesla number of scans : scans nuclear magnetic resonance pulse sequence : hsqc_dec_en.jxp Spectral Width : number of data points : points relaxation time measurement : seconds

Data-Source Molecule ID	Data-Source
60024219	NMRShiftDB
494487	eMolecules
J1.391.353F	Nikkaji
J5.762B	Nikkaji
7000	Guide to Pharmacology
QUMDIN	CCDC
PD011359	ProbesDrugs
IT942ZTH98	FDA SRS
MTBLC3962	Metabolights
3962	ChEBI
12013839	PubChem: Drugs of the Future
CHEMBL140	ChEMBL
SCHEMBL8440	SureChEMBL
14803853	PubChem: Thomson Pharma
458-37-7	ACToR
8024-37-1	ACToR
15845-47-3	ACToR
DTXSID8031077	EPA CompTox Dashboard
ZINC000000899824	ZINC
LSM-43083	LINCS
CB4183426	ChemicalBook
3962	Rhea
HMDB0002269	Human Metabolome Database
696	Brenda
DB11672	DrugBank
14060	Brenda
50140172	BindingDB
CC9	PDBe
CB3167375	ChemicalBook
226236	Brenda
969516	PubChem
The data in this table is sourced from UniChem at EBI.