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Lucidenic acid J

Common Name

Lucidenic acid J Description

Lucidenic acid J is found in mushrooms. Lucidenic acid J is a constituent of Ganoderma lucidum (reishi).Lucidenic acid J belongs to the family of Dihydroxy Bile Acids, Alcohols and Derivatives. These are compounds containing or derived from a bile acid or alcohol, and which bears exactly two carboxylic acid groups. Structure

MOLSDFPDBSMILESInChI

Structure for HMDB35700 (Lucidenic acid J)

Synonyms

Value Source 3b,12b,28-Trihydroxy-7,11,15-trioxo-25,26,27-trisnorlanost-8-en-24-Oic acidHMDB 3b,12b-Dihydroxy-4a-hydroxymethyl-4b,14a-dimethyl-7,11,15-trioxo-5a-chol-8-en-24-Oic acid, 9ciHMDB

Chemical Formlia

C27H38O8 Average Molecliar Weight

490.5858 Monoisotopic Molecliar Weight

490.256668192 IUPAC Name

4-[5,16-dihydroxy-6-(hydroxymethyl)-2,6,11,15-tetramethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoic acid Traditional Name

4-[5,16-dihydroxy-6-(hydroxymethyl)-2,6,11,15-tetramethyl-9,12,17-trioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl]pentanoic acid CAS Registry Number

Not Available SMILES

CC(CCC(O)=O)C1CC(=O)C2(C)C3=C(C(=O)C(O)C12C)C1(C)CCC(O)C(C)(CO)C1CC3=O

InChI Identifier

InChI=1S/C27H38O8/c1-13(6-7-19(32)33)14-10-18(31)27(5)20-15(29)11-16-24(2,9-8-17(30)25(16,3)12-28)21(20)22(34)23(35)26(14,27)4/h13-14,16-17,23,28,30,35H,6-12H2,1-5H3,(H,32,33)

InChI Key

HAVMVUFJSIMVDG-UHFFFAOYSA-N Chemical Taxonomy Description

This compound belongs to the class of chemical entities known as triterpenoids. These are terpene moleclies containing six isoprene units. Kingdom

Chemical entities Super Class

Organic compounds Class

Lipids and lipid-like moleclies Sub Class

Prenol lipids Direct Parent

Triterpenoids Alternative Parents

  • Trihydroxy bile acids, alcohols and derivatives
  • 7-oxosteroids
  • 3-hydroxysteroids
  • 12-hydroxysteroids
  • 11-oxosteroids
  • Short-chain hydroxy acids and derivatives
  • Cyclohexenones
  • Secondary alcohols
  • Cyclic alcohols and derivatives
  • Monocarboxylic acids and derivatives
  • Carboxylic acids
  • Primary alcohols
  • Organic oxides
  • Hydrocarbon derivatives

    • Substituents

  • Triterpenoid
  • Trihydroxy bile acid, alcohol, or derivatives
  • Hydroxy bile acid, alcohol, or derivatives
  • Bile acid, alcohol, or derivatives
  • 3-hydroxysteroid
  • 7-oxosteroid
  • 12-hydroxysteroid
  • 2-hydroxysteroid
  • Oxosteroid
  • 15-oxosteroid
  • 11-oxosteroid
  • Hydroxysteroid
  • Steroid
  • Cyclohexenone
  • Short-chain hydroxy acid
  • Cyclic alcohol
  • Ketone
  • Secondary alcohol
  • Carboxylic acid
  • Carboxylic acid derivative
  • Monocarboxylic acid or derivatives
  • Organooxygen compound
  • Primary alcohol
  • Hydrocarbon derivative
  • Organic oxygen compound
  • Carbonyl group
  • Organic oxide
  • 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

    • 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 Solubility0.34 mg/mLALOGPS logP1.9ALOGPS logP1.62ChemAxon logS-3.2ALOGPS pKa (Strongest Acidic)4.1ChemAxon pKa (Strongest Basic)-2.8ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count8ChemAxon Hydrogen Donor Count4ChemAxon Polar Surface Area149.2 Å2ChemAxon Rotatable Bond Count5ChemAxon Refractivity126.8 m3·mol-1ChemAxon Polarizability52.59 Å3ChemAxon Number of Rings4ChemAxon 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

    • 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

    FDB014419 KNApSAcK ID

    Not Available Chemspider ID

    Not Available KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB35700 Metagene Link

    HMDB35700 METLIN ID

    Not Available PubChem Compound

    Not Available PDB ID

    Not Available ChEBI ID

    Not Available

    Product: ZSET1447

    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: 10963298