Dataset

Curcumin annotated NMR 400 MHz DMSOd6 data.

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

https://doi.org/10.7910/DVN/SKGKLL, Harvard Dataverse, V1

Chemical Info

molecular Image
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

Metadata Information

Field Value
DOI 10.57992/nmrxiv.p33.s190.d855
License URL https://creativecommons.org/publicdomain/zero/1.0/legalcode
Source https://nmrxiv.org/D855
Version
Author Bisson J, McAlpine JB, Friesen JB, Chen SN, Graham J, Pauli GF.
Maintainer
Language english
MetadataCreated 2024-05-15T09:47:29.211550
MetadataModified 2024-09-23T09:38:24.542772
MetadataPublished 2023-12-21 14:26:13
Field Value
No additional information available for this Dataset.
Data-Source Molecule ID Data-Source
494487 eMolecules
12013839 PubChem: Drugs of the Future
CHEMBL140 ChEMBL
3962 ChEBI
15845-47-3 ACToR
8024-37-1 ACToR
458-37-7 ACToR
IT942ZTH98 FDA SRS
969516 PubChem
14803853 PubChem: Thomson Pharma
PD011359 ProbesDrugs
60024219 NMRShiftDB
7000 Guide to Pharmacology
J5.762B Nikkaji
QUMDIN CCDC
SCHEMBL8440 SureChEMBL
J1.391.353F Nikkaji
LSM-43083 LINCS
ZINC000000899824 ZINC
DTXSID8031077 EPA CompTox Dashboard
50140172 BindingDB
226236 Brenda
14060 Brenda
CB3167375 ChemicalBook
CC9 PDBe
CB4183426 ChemicalBook
DB11672 DrugBank
696 Brenda
3962 Rhea
MTBLC3962 Metabolights
HMDB0002269 Human Metabolome Database
The data in this table is sourced from UniChem at EBI.