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Record Information
Created at2022-09-05 23:08:57 UTC
Updated at2022-09-05 23:08:57 UTC
NP-MRD IDNP0221538
Secondary Accession NumbersNone
Natural Product Identification
Common Name4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol
Description1',3,6',8-Tetramethyl-4,5'-divinyl-9',10'-dihydro-1,3'-biphenanthrene-2,2',7,7'-tetrol belongs to the class of organic compounds known as phenanthrols. Phenanthrols are compounds containing a phenanthrene (or its hydrogenated derivative) to which a hydroxyl group is attached. 4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol is found in Juncus acutus. Based on a literature review very few articles have been published on 1',3,6',8-Tetramethyl-4,5'-divinyl-9',10'-dihydro-1,3'-biphenanthrene-2,2',7,7'-tetrol.
SynonymsNot Available
Chemical FormulaC36H32O4
Average Mass528.6480 Da
Monoisotopic Mass528.23006 Da
IUPAC Name4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol
Traditional Name4,5'-diethenyl-1',3,6',8-tetramethyl-9',10'-dihydro-[1,3'-biphenanthrene]-2,2',7,7'-tetrol
CAS Registry NumberNot Available
InChI Identifier
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species of Origin
Species NameSourceReference
Juncus acutusLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenanthrols. Phenanthrols are compounds containing a phenanthrene (or its hydrogenated derivative) to which a hydroxyl group is attached.
KingdomOrganic compounds
Super ClassBenzenoids
ClassPhenanthrenes and derivatives
Sub ClassPhenanthrols
Direct ParentPhenanthrols
Alternative Parents
  • Phenanthrol
  • Hydrophenanthrene
  • 2-naphthol
  • Naphthalene
  • Styrene
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Organooxygen compound
  • Aromatic homopolycyclic compound
Molecular FrameworkAromatic homopolycyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
pKa (Strongest Acidic)8.97ChemAxon
pKa (Strongest Basic)-5.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area80.92 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity164.97 m³·mol⁻¹ChemAxon
Polarizability61.04 ųChemAxon
Number of Rings6ChemAxon
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 ID9224871
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound11049704
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
General References
  1. LOTUS database [Link]