Phyto4Health

Adenine

Representations & DB's id

ChEBI: CHEBI:16708
ChEMBL: CHEMBL226345
PubChem: 190
IUPAC: 7H-purin-6-amine
Standard InChI: InChI=1S/C5H5N5/c6-4-3-5(9-1-7-3)10-2-8-4/h1-2H,(H3,6,7,8,9,10)
Standard InChI Key: GFFGJBXGBJISGV-UHFFFAOYSA-N
SMILES: Nc1nc[nH]c2c1ncn2

Molecular propeties

AlogP: -0.06
Hydrogen bonds acceptors: 4
Hydrogen bonds donors: 2
Rotatable bonds: 0
Number of rings: 2
Molecular Weight: 135.05
Topological polar surface area: 80.5
Number of aromatic rings: 2
Fsp3: 0
Number of carbons: 5

Plant sources

Part of plant Plant name Ref.
RootPanax ginseng
FlosTussilago farfara
PlantJuglans regia

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Others14 %Serine/threonine-protein kinase RAFP04049
Others9 %Dual specificity mitogen-activated protein kinase kinase 1Q02750
Others0 %Serine/threonine-protein kinase AKTP31749
Others6 %Protein kinase C alphaP17252
Others28 %Rho-associated protein kinase 1Q13464
Others7 %MAP kinase p38 alphaQ16539
Others0 %Glycogen synthase kinase-3 betaP49841
Others0 %c-Jun N-terminal kinase 1P45983
Others0 %c-Jun N-terminal kinase 2P45984
Others19 %Tyrosine-protein kinase LCKP06239
Others3 %MAP kinase ERK1P27361
Others17 %MAP kinase ERK2P28482
IC5010890 nMXanthine dehydrogenaseP47989
Others61.3 %Xanthine dehydrogenaseP47989
IC504000000 nMHeat shock protein HSP 90-betaP08238
Potency2511.9 nMPrelamin-A/CP02545
Others10 %Matrix metalloproteinase 3P08254
Others17 %Matrix metalloproteinase-1P03956
Others9 %Matrix metalloproteinase 8P22894
Others-1 %Matrix metalloproteinase-2P08253
Others9 %Arachidonate 5-lipoxygenaseP09917
Others-3 %Matrix metalloproteinase 9P14780
Potency29092.9 nMNuclear factor erythroid 2-related factor 2Q16236
Potency89125.1 nMTumor susceptibility gene 101 proteinQ99816
Others19 %Cytosolic purine 5'-nucleotidaseP49902