Showing metabocard for Kinetin (BMDB0012245)

IdentificationTaxonomyPhysical propertiesPathwaysSpectraConcentrationsLinksReferencesXML
Record Information
Version1.0
Creation Date2016-10-03 18:34:52 UTC
Update Date2020-04-22 15:49:15 UTC
BMDB IDBMDB0012245
Secondary Accession Numbers
  • BMDB12245
Metabolite Identification
Common NameKinetin
DescriptionKinetin, also known as 6-furfuryladenine, belongs to the class of organic compounds known as 6-alkylaminopurines. 6-alkylaminopurines are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring. Based on a literature review a significant number of articles have been published on Kinetin.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
6-(Furfurylamino)purineChEBI
6-FurfuryladenineChEBI
N-FurfuryladenineChEBI
N(6)-(Furfurylamino)purineChEBI
N(6)-FurfuryladenineChEBI
6 FurfuryladenineMeSH
6 FurfurylaminopurineMeSH
6-FurfurylaminopurineMeSH
6-[(Furan-2-ylmethyl)amino]-9H-purineHMDB
Furan-2-ylmethyl-(9H-purin-6-yl)-aminHMDB
Furfuryl(purin-6-yl)amineHMDB
N-(2-Furanylmethyl)-1H-purin-6-amineHMDB
N-(2-Furylmethyl)-1H-purin-6-amineHMDB
N-(2-Furylmethyl)-9H-purin-6-amineHMDB
N-(2-Furylmethyl)-N-(9H-purin-6-yl)amineHMDB
N-1H-Purin-6-yl-2-furanmethanamineHMDB
N-Furfuryl-adenineHMDB
N6-(furfurylamino)PurineHMDB
N6-FurfuryladenineHMDB
Chemical FormulaC10H9N5O
Average Molecular Weight215.2114
Monoisotopic Molecular Weight215.080709935
IUPAC NameN-[(furan-2-yl)methyl]-7H-purin-6-amine
Traditional Name6 furfurylaminopurine
CAS Registry Number525-79-1
SMILES
C(NC1=NC=NC2=C1NC=N2)C1=CC=CO1
InChI Identifier
InChI=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)
InChI KeyQANMHLXAZMSUEX-UHFFFAOYSA-N
Chemical Taxonomy
Description belongs to the class of organic compounds known as 6-alkylaminopurines. 6-alkylaminopurines are compounds that contain an alkylamine group attached at the 6-position of a purine. Purine is a bicyclic aromatic compound made up of a pyrimidine ring fused to an imidazole ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassImidazopyrimidines
Sub ClassPurines and purine derivatives
Direct Parent6-alkylaminopurines
Alternative Parents
Substituents
  • 6-alkylaminopurine
  • Aminopyrimidine
  • Secondary aliphatic/aromatic amine
  • Pyrimidine
  • Imidolactam
  • Azole
  • Furan
  • Imidazole
  • Heteroaromatic compound
  • Secondary amine
  • Azacycle
  • Oxacycle
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Amine
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
StatusExpected but not Quantified
Origin
  • Endogenous
BiofunctionNot Available
ApplicationNot Available
Cellular locationsNot Available
Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.51ALOGPS
logP0.51ChemAxon
logS-2.6ALOGPS
pKa (Strongest Acidic)10.2ChemAxon
pKa (Strongest Basic)3.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area79.63 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity60.72 m³·mol⁻¹ChemAxon
Polarizability21.33 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleYesChemAxon
Spectra
Spectra
Biological Properties
Cellular LocationsNot Available
Biospecimen LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
HMDB IDHMDB0012245
DrugBank IDDB11336
Phenol Explorer Compound IDNot Available
FooDB IDFDB028887
KNApSAcK IDC00001504
Chemspider ID3698
KEGG Compound IDC08272
BioCyc IDCPD-4609
BiGG IDNot Available
Wikipedia LinkKinetin
METLIN IDNot Available
PubChem Compound3830
PDB IDH35
ChEBI ID27407
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available