phenoxy radical VIII (PAMDB120219)

IdentificationTaxonomyPhysical PropertiesBiological PropertiesSpectraConcentrationsLinksReferencesEnzymes Transporters
Proteins (3280)
Record Information
Version 1.0
Update Date 1/22/2018 11:54:54 AM
Metabolite IDPAMDB120219
Identification
Name: phenoxy radical VIII
Description:This study reports several phenoxy radicals as intermediates in this pathway and they are named phenoxy radical I to VIII.
Structure
Thumb
🔍MOLSDFPDBSMILESInChIView Structure
Synonyms:Not Available
Chemical Formula: C15H12O5
Average Molecular Weight: 272.257
Monoisotopic Molecular Weight: 272.06848
InChI Key: KOUAZSKCURTENM-UHFFFAOYSA-N
InChI:InChI=1S/C15H12O5/c16-9-3-1-8(2-4-9)13(18)15-14(19)11-6-5-10(17)7-12(11)20-15/h1-7,13,15-18H
CAS number: Not Available
IUPAC Name:Not Available
Traditional IUPAC Name: Not Available
SMILES:C1(C=C(O)C=CC=1C(O)C2(OC3(C(C(=O)2)=CC=C(C=3)O)))
Chemical Taxonomy
Taxonomy DescriptionThis compound belongs to the class of organic compounds known as aurone flavonoids. These are flavonoids containing a 2-Benzylidene-1-benzofuran-3-one based core. Aurone flavonoids provide the bright yellow color of some important ornamental flowers, such as snapdragon (Antirrhinum majus).
Kingdom Organic compounds
Super ClassPhenylpropanoids and polyketides
Class Aurone flavonoids
Sub ClassNot Available
Direct Parent Aurone flavonoids
Alternative Parents
Substituents
  • Aurone
  • Coumaran
  • Benzofuran
  • Aryl alkyl ketone
  • Aryl ketone
  • 1-hydroxy-2-unsubstituted benzenoid
  • Alkyl aryl ether
  • Phenol
  • Monocyclic benzene moiety
  • Benzenoid
  • Ketone
  • Secondary alcohol
  • Oxacycle
  • Ether
  • Organoheterocyclic compound
  • Organic oxygen compound
  • Alcohol
  • Hydrocarbon derivative
  • Organic oxide
  • Organooxygen compound
  • Aromatic alcohol
  • Aromatic heteropolycyclic compound
Molecular Framework Aromatic heteropolycyclic compounds
External Descriptors
  • a phenol (CPD-12033)
Physical Properties
State: Not Available
Charge:0
Melting point: Not Available
Experimental Properties: Not Available
Predicted Properties
PropertyValueSource
Molecular Weight272.256 g/molPubChem
XLogP3-AA2.2 PubChem
Hydrogen Bond Donor Count3 PubChem
Hydrogen Bond Acceptor Count5 PubChem
Rotatable Bond Count2 PubChem
Exact Mass272.068 g/molPubChem
Monoisotopic Mass272.068 g/molPubChem
Topological Polar Surface Area87 A^2PubChem
Heavy Atom Count20 PubChem
Formal Charge0 PubChem
Complexity363 PubChem
Isotope Atom Count0 PubChem
Defined Atom Stereocenter Count0 PubChem
Undefined Atom Stereocenter Count2 PubChem
Defined Bond Stereocenter Count0 PubChem
Undefined Bond Stereocenter Count0 PubChem
Covalently-Bonded Unit Count1 PubChem
Biological Properties
Cellular Locations: Not Available
Reactions:
phenoxy radical VIII + Hydrogen peroxide → phenoxy radical VI + Water
Pathways:
    Spectra
    Spectra: Not Available
    References
    References: Not Available
    Synthesis Reference: Not Available
    Material Safety Data Sheet (MSDS) Not Available
    External Links:
    ResourceLink
    PUBCHEM13815501