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Record Information
Version2.0
Created at2022-04-28 02:32:21 UTC
Updated at2022-04-28 02:32:21 UTC
NP-MRD IDNP0056952
Secondary Accession NumbersNone
Natural Product Identification
Common Name5,7,2'-Trihydroxy-4',5'-methylenedioxy-6,8-diprenylisoflavone
DescriptionEuchrenone b5 belongs to the class of organic compounds known as 6-prenylated isoflavanones. These are isoflavanones featuring a C5-isoprenoid unit at the 6-position. Thus, euchrenone B5 is considered to be a flavonoid lipid molecule. 5,7,2'-Trihydroxy-4',5'-methylenedioxy-6,8-diprenylisoflavone is found in Euchresta japonica . Euchrenone b5 is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral.
Structure
Thumb
SynonymsNot Available
Chemical FormulaC26H26O7
Average Mass450.4870 Da
Monoisotopic Mass450.16785 Da
IUPAC Name5,7-dihydroxy-3-(6-hydroxy-2H-1,3-benzodioxol-5-yl)-6,8-bis(3-methylbut-2-en-1-yl)-4H-chromen-4-one
Traditional Nameeuchrenone b5
CAS Registry NumberNot Available
SMILES
CC(C)=CCC1=C(O)C(CC=C(C)C)=C2OC=C(C(=O)C2=C1O)C1=CC2=C(OCO2)C=C1O
InChI Identifier
InChI=1S/C26H26O7/c1-13(2)5-7-15-23(28)16(8-6-14(3)4)26-22(24(15)29)25(30)18(11-31-26)17-9-20-21(10-19(17)27)33-12-32-20/h5-6,9-11,27-29H,7-8,12H2,1-4H3
InChI KeyBMFWISRQQUCVKR-UHFFFAOYSA-N
Experimental Spectra
Not Available
Predicted Spectra
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Euchresta japonicaPlant
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 6-prenylated isoflavanones. These are isoflavanones featuring a C5-isoprenoid unit at the 6-position.
KingdomOrganic compounds
Super ClassPhenylpropanoids and polyketides
ClassIsoflavonoids
Sub ClassIsoflavans
Direct Parent6-prenylated isoflavanones
Alternative Parents
Substituents
  • 6-prenylated isoflavanone
  • Isoflavone
  • Hydroxyisoflavonoid
  • Chromone
  • Benzopyran
  • 1-benzopyran
  • Benzodioxole
  • 1-hydroxy-2-unsubstituted benzenoid
  • Pyranone
  • Benzenoid
  • Pyran
  • Vinylogous acid
  • Heteroaromatic compound
  • Oxacycle
  • Organoheterocyclic compound
  • Acetal
  • Organic oxide
  • Organooxygen compound
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External Descriptors
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP4.3ALOGPS
logP6.16ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)6.19ChemAxon
pKa (Strongest Basic)-4.6ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area105.45 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity125.94 m³·mol⁻¹ChemAxon
Polarizability48.68 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityYesChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound14284692
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General ReferencesNot Available