Phyto4Health

Niacinamide

Representations & DB's id

ChEBI: CHEBI:17154
ChEMBL: CHEMBL1140
PubChem: 936
IUPAC: pyridine-3-carboxamide
Standard InChI: InChI=1S/C6H6N2O/c7-6(9)5-2-1-3-8-4-5/h1-4H,(H2,7,9)
Standard InChI Key: DFPAKSUCGFBDDF-UHFFFAOYSA-N
SMILES: OC(=N)c1cccnc1

Molecular propeties

AlogP: 0.18
Hydrogen bonds acceptors: 2
Hydrogen bonds donors: 1
Rotatable bonds: 1
Number of rings: 1
Molecular Weight: 122.05
Topological polar surface area: 56
Number of aromatic rings: 1
Fsp3: 0
Number of carbons: 6

Plant sources

Part of plant Plant name Ref.
PlantCrocus sativus
PlantCrocus sativus

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC50520000 nMNAD-dependent deacetylase sirtuin 1Q96EB6
Others0 %Ketopantoate reductaseP0A9J4
Others10.6 %NAD-dependent deacetylase sirtuin 1Q96EB6
IC5032300 nMNAD-dependent deacetylase sirtuin 2Q8IXJ6
IC50100500 nMNAD-dependent deacetylase sirtuin 2Q8IXJ6
IC5032300 nMNAD-dependent deacetylase sirtuin 2Q8IXJ6
IC50100000 nMNAD-dependent deacetylase sirtuin 1Q96EB6
IC5011000 nMNAD-dependent deacetylase sirtuin 2Q8IXJ6
IC5014000 nMNAD-dependent deacetylase sirtuin 3Q9NTG7
IC50250000 nMNAD-dependent deacetylase sirtuin 1Q96EB6
Others42.5 %NAD-dependent deacetylase sirtuin 3Q9NTG7
Others26 %NAD-dependent deacetylase sirtuin 2Q8IXJ6
Potency39810.7 nMHistone acetyltransferase GCN5Q92830
IC50377000 nMNAD-dependent deacetylase sirtuin 3Q9NTG7
Others71 %NAD-dependent deacetylase sirtuin 2Q8IXJ6
Others20 %NAD-dependent deacetylase sirtuin 3Q9NTG7
Potency6513.1 nMGemininO75496
IC5090400 nMNAD-dependent deacetylase sirtuin 1Q96EB6
Others0.55 %NAD-dependent deacetylase sirtuin 1Q96EB6
IC50210000 nMPoly [ADP-ribose] polymerase-1P09874
IC50100000 nMNAD-dependent deacetylase sirtuin 2Q8IXJ6
IC5025000 nMNAD-dependent deacetylase sirtuin 1Q96EB6
IC5011000 nMNAD-dependent deacetylase sirtuin 2Q8IXJ6
IC506200 nMNAD-dependent deacetylase sirtuin 3Q9NTG7
IC5010500 nMNAD-dependent deacetylase sirtuin 2Q8IXJ6
IC5073000 nMNAD-dependent deacetylase sirtuin 1Q96EB6
IC50100000 nMNAD-dependent protein deacylase sirtuin-5, mitochondrialQ9NXA8
IC50149000 nMNAD-dependent deacetylase sirtuin 1Q96EB6
IC506300 nMNAD-dependent deacetylase sirtuin 2Q8IXJ6
IC50184000 nMNAD-dependent protein deacetylase sirtuin-6Q8N6T7
IC50200000 nMNAD-dependent protein deacetylase sirtuin-6Q8N6T7
Others50 %NAD-dependent protein deacetylase sirtuin-6Q8N6T7
IC50210000 nMPoly [ADP-ribose] polymerase-1P09874
Others5 Cytochrome P450 2E1P05181
Others8 %Cytochrome P450 2E1P05181
Others8 Cytochrome P450 2E1P05181
IC50210000 nMPoly [ADP-ribose] polymerase-1P09874
IC5050000 nMNAD-dependent deacetylase sirtuin 1Q96EB6
IC501200 nMNAD-dependent deacetylase sirtuin 2Q8IXJ6