|
Menu

COCONUT Compound

kinetin

CNP0597087.0 · C10H9N5O · View on COCONUT ↗

2D Structure

Download 2D SDF Download 3D SDF

Identifiers

Namekinetin
IUPAC Name~{N}-(2-furylmethyl)-7~{H}-purin-6-amine
COCONUT IDCNP0597087.0
CAS525-79-1, 6046-79-3
InChIKeyQANMHLXAZMSUEX-UHFFFAOYSA-N
InChIInChI=1S/C10H9N5O/c1-2-7(16-3-1)4-11-9-8-10(13-5-12-8)15-6-14-9/h1-3,5-6H,4H2,(H2,11,12,13,14,15)
SMILESC1=COC(CNC2=NC=NC3=C2NC=N3)=C1

Properties

Molecular FormulaC10H9N5O
Molecular Weight215.22
Exact Mass215.08071
Log P (ALogP)1.56
TPSA79.63
H-Bond Donors / Acceptors2 / 5
Rotatable Bonds3
Lipinski's Rule of 5 Violations0
QED Drug-likeness0.69
NP-likeness-1.40

Classification

NP PathwayAlkaloids
NP SuperclassPseudoalkaloids
NP ClassPurine alkaloids
Chemical SuperclassOrganoheterocyclic compounds
Chemical ClassImidazopyrimidines
Chemical SubclassPurines and purine derivatives

Reported in GR-MAPs Plants

Nicotiana tabacum as “Nicotiana tabacum” in COCONUT
Oryza sativa as “Oryza sativa” in COCONUT

References (9)

  1. 10.1002/ELPS.200500465
  2. 10.1007/BF00272542
  3. 10.1007/BF00390888
  4. 10.1007/S002990100364
  5. 10.1016/0021-9673(93)80338-9
  6. 10.1016/J.JCHROMB.2005.09.026
  7. 10.1016/S0015-3796(82)80033-4
  8. 10.1016/S0031-9422(00)00190-4
  9. 10.1626/JCS.49.167

Data from COCONUT (COlleCtion of Open Natural prodUcTs), released under CC0. Chandrasekhar V. et al. COCONUT 2.0: a comprehensive overhaul and curation of the collection of open natural products database. Nucleic Acids Research (2024), doi:10.1093/nar/gkae1063. COCONUT release 2026-10.