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Panasinsanol A

Common Name

Panasinsanol A Description

Panasinsanol A is found in tea. Panasinsanol A is a constituent of Panax ginseng (ginseng).Panasinsanol A belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units. Structure

MOLSDFPDBSMILESInChI

Structure for HMDB35711 (Panasinsanol A)

Synonyms

Not Available Chemical Formlia

C15H26O Average Molecliar Weight

222.3663 Monoisotopic Molecliar Weight

222.198365454 IUPAC Name

(4aR,8R,8bS)-2,2,4a,8-tetramethyl-decahydrocyclobuta[d]inden-8-ol Traditional Name

(4aR,8R,8bS)-2,2,4a,8-tetramethyl-hexahydro-1H-cyclobuta[d]inden-8-ol CAS Registry Number

80374-27-2 SMILES

CC1(C)CC23[C@H]1CC[C@@]2(C)CCC[C@@]3(C)O

InChI Identifier

InChI=1S/C15H26O/c1-12(2)10-15-11(12)6-9-13(15,3)7-5-8-14(15,4)16/h11,16H,5-10H2,1-4H3/t11-,13+,14+,15?/m0/s1

InChI Key

ZEQZCZRDJPTCHI-JCHYFPDLSA-N Chemical Taxonomy Description

This compound belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. Kingdom

Organic compounds Super Class

Lipids and lipid-like moleclies Class

Prenol lipids Sub Class

Sesquiterpenoids Direct Parent

Sesquiterpenoids Alternative Parents

  • Tertiary alcohols
  • Cyclic alcohols and derivatives
  • Hydrocarbon derivatives

    • Substituents

  • Caryophyllane sesquiterpenoid
  • Sesquiterpenoid
  • Tertiary alcohol
  • Cyclic alcohol
  • Hydrocarbon derivative
  • Organooxygen compound
  • Alcohol
  • Aliphatic homopolycyclic compound

    • Molecliar Framework

    Aliphatic homopolycyclic compounds External Descriptors

    Not Available Ontology Status

    Expected but not Quantified Origin

  • Endogenous

  • Food

    • Biofunction

  • Cell signaling
  • Fuel and energy storage
  • Fuel or energy source
  • Membrane integrity/stability
  • Nutrient

    • Application

  • Nutrient
  • Stabilizers
  • Surfactants and Emlisifiers

    • Cellliar locations

  • Extracellliar
  • Membrane

    • Physical Properties State

    Not Available Experimental Properties

    Property Value Reference Melting PointNot AvailableNot Available Boiling PointNot AvailableNot Available Water SolubilityNot AvailableNot Available LogPNot AvailableNot Available

    Predicted Properties

    Property Value Source Water Solubility0.03 mg/mLALOGPS logP4.12ALOGPS logP3.28ChemAxon logS-3.9ALOGPS pKa (Strongest Basic)-0.19ChemAxon Physiological Charge0ChemAxon Hydrogen Acceptor Count1ChemAxon Hydrogen Donor Count1ChemAxon Polar Surface Area20.23 Å2ChemAxon Rotatable Bond Count0ChemAxon Refractivity66.38 m3·mol-1ChemAxon Polarizability26.94 Å3ChemAxon Number of Rings3ChemAxon Bioavailability1ChemAxon Rlie of FiveYesChemAxon Ghose FilterYesChemAxon Vebers RlieYesChemAxon MDDR-like RlieYesChemAxon

    Spectra Spectra

    Spectrum Type Description Splash Key Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, PositiveNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, NegativeNot Available Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, NegativeNot Available

    Biological Properties Cellliar Locations

  • Extracellliar
  • Membrane

    • Biofluid Locations

    Not Available Tissue Location

    Not Available Pathways

    Not Available Normal Concentrations Not Available Abnormal Concentrations

    Not Available Associated Disorders and Diseases Disease References

    None Associated OMIM IDs

    None External Links DrugBank ID

    Not Available DrugBank Metabolite ID

    Not Available Phenol Explorer Compound ID

    Not Available Phenol Explorer Metabolite ID

    Not Available FoodDB ID

    FDB014433 KNApSAcK ID

    C00021836 Chemspider ID

    117724 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB35711 Metagene Link

    HMDB35711 METLIN ID

    Not Available PubChem Compound

    133454 PDB ID

    Not Available ChEBI ID

    Not Available

    Product: 5,15-Diacetyl-4-benzoyllathyrol

    References Synthesis Reference Not 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.. .

    PMID: 12522243