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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 17:36:17 UTC
Update Date2022-03-07 02:52:31 UTC
HMDB IDHMDB0030351
Secondary Accession Numbers
  • HMDB30351
Metabolite Identification
Common NameArborine
DescriptionArborine, also known as glycosine, belongs to the class of organic compounds known as quinazolines. Quinazolines are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring. Based on a literature review a significant number of articles have been published on Arborine.
Structure
Thumb
Synonyms
ValueSource
GlycosineKegg
1-Methyl-2-(phenylmethyl)-4(1H)-quinazolinoneHMDB
2-Benzyl-1-methyl-4(1H)-quinazolinoneHMDB
4(1H)-Quinazolinone, 1-methyl-2-(phenylmethyl)- (9ci)HMDB
4(1H)-Quinazolinone, 2-benzyl-1-methyl- (8ci)HMDB
ArborinHMDB
Chemical FormulaC16H14N2O
Average Molecular Weight250.2952
Monoisotopic Molecular Weight250.11061308
IUPAC Name2-benzyl-1-methyl-1,4-dihydroquinazolin-4-one
Traditional Namearborin
CAS Registry Number6873-15-0
SMILES
CN1C(CC2=CC=CC=C2)=NC(=O)C2=CC=CC=C12
InChI Identifier
InChI=1S/C16H14N2O/c1-18-14-10-6-5-9-13(14)16(19)17-15(18)11-12-7-3-2-4-8-12/h2-10H,11H2,1H3
InChI KeyXVPZRKIQCKKYNE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as quinazolines. Quinazolines are compounds containing a quinazoline moiety, which is made up of two fused six-member aromatic rings, a benzene ring and a pyrimidine ring.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassDiazanaphthalenes
Sub ClassBenzodiazines
Direct ParentQuinazolines
Alternative Parents
Substituents
  • Quinazoline
  • Pyrimidone
  • Monocyclic benzene moiety
  • Pyrimidine
  • Benzenoid
  • Vinylogous amide
  • Heteroaromatic compound
  • Azacycle
  • Hydrocarbon derivative
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organic nitrogen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
RoleNot Available
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point161 - 162 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility9.35 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB002196
KNApSAcK IDC00002136
Chemspider ID56807
KEGG Compound IDC10642
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound63123
PDB IDNot Available
ChEBI ID604841
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1819231
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General References
  1. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .