Phyto4Health

Thymidine

Representations & DB's id

ChEBI: CHEBI:17748
ChEMBL: CHEMBL52609
PubChem: 5789
IUPAC: 1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Standard InChI: InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
Standard InChI Key: IQFYYKKMVGJFEH-XLPZGREQSA-N
SMILES: OC[C@H]1O[C@H](C[C@@H]1O)n1cc(C)c(nc1=O)O

Molecular propeties

AlogP: -1.51
Hydrogen bonds acceptors: 6
Hydrogen bonds donors: 3
Rotatable bonds: 2
Number of rings: 2
Molecular Weight: 242.09
Topological polar surface area: 99.1
Number of aromatic rings: 1
Fsp3: 0.6
Number of carbons: 10

Plant sources

Part of plant Plant name Ref.
PlantAnethum graveolens

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Ki180000 nMThymidylate kinaseP23919
Ki180000 nMThymidylate kinaseP23919
Others439 /min.mgThymidine kinase, cytosolicP04183
Kd10000000 nMATPase family AAA domain-containing protein 2Q6PL18