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Ganoderic acid B

Common Name

Ganoderic acid B Description

Ganoderic acid B is found in mushrooms. Ganoderic acid B is a constituent of Ganoderma lucidum (reishi).Ganoderic acid B belongs to the family of Triterpenes. These are terpene moleclies containing 8 isoprene units. Structure

MOLSDFPDBSMILESInChI

Structure for HMDB35719 (Ganoderic acid B)

Synonyms

Not Available Chemical Formlia

C30H44O7 Average Molecliar Weight

516.6662 Monoisotopic Molecliar Weight

516.308703762 IUPAC Name

6-{5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxoheptanoic acid Traditional Name

6-{5,9-dihydroxy-2,6,6,11,15-pentamethyl-12,17-dioxotetracyclo[8.7.0.0²,⁷.0¹¹,¹⁵]heptadec-1(10)-en-14-yl}-2-methyl-4-oxoheptanoic acid CAS Registry Number

81907-61-1 SMILES

CC(CC(=O)CC(C)C(O)=O)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O

InChI Identifier

InChI=1S/C30H44O7/c1-15(10-17(31)11-16(2)26(36)37)18-12-23(35)30(7)25-19(32)13-21-27(3,4)22(34)8-9-28(21,5)24(25)20(33)14-29(18,30)6/h15-16,18-19,21-22,32,34H,8-14H2,1-7H3,(H,36,37)

InChI Key

LWPLEHFGBRFRKI-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

  • Dihydroxy bile acids, alcohols and derivatives
  • Steroid acids
  • 7-hydroxysteroids
  • 3-hydroxysteroids
  • 11-oxosteroids
  • Medium-chain keto acids and derivatives
  • Gamma-keto acids and derivatives
  • Cyclohexenones
  • Secondary alcohols
  • Cyclic alcohols and derivatives
  • Monocarboxylic acids and derivatives
  • Carboxylic acids
  • Organic oxides
  • Hydrocarbon derivatives

    • Substituents

  • Triterpenoid
  • Dihydroxy bile acid, alcohol, or derivatives
  • Hydroxy bile acid, alcohol, or derivatives
  • 23-oxosteroid
  • Bile acid, alcohol, or derivatives
  • Steroid acid
  • Hydroxysteroid
  • 3-hydroxysteroid
  • 11-oxosteroid
  • 15-oxosteroid
  • Oxosteroid
  • 7-hydroxysteroid
  • Steroid
  • Medium-chain keto acid
  • Gamma-keto acid
  • Cyclohexenone
  • Keto acid
  • Cyclic alcohol
  • Secondary alcohol
  • Ketone
  • Monocarboxylic acid or derivatives
  • Carboxylic acid
  • Carboxylic acid derivative
  • Organooxygen compound
  • 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 Solubility0.013 mg/mLALOGPS logP3.72ALOGPS logP3.3ChemAxon logS-4.6ALOGPS pKa (Strongest Acidic)4.31ChemAxon pKa (Strongest Basic)-0.81ChemAxon Physiological Charge-1ChemAxon Hydrogen Acceptor Count7ChemAxon Hydrogen Donor Count3ChemAxon Polar Surface Area128.97 Å2ChemAxon Rotatable Bond Count6ChemAxon Refractivity138.93 m3·mol-1ChemAxon Polarizability55.92 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, Positivesplash10-000t-0000910000-848d3d85311ec05cf7c2View in MoNA Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, Positivesplash10-001i-1001900000-282a8774a27bb196b1a1View in MoNA Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, Positivesplash10-100u-5103900000-2a17ec4e444c421add71View in MoNA Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 10V, Negativesplash10-014j-0000890000-139fefca77ecb3887e70View in MoNA Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 20V, Negativesplash10-0g4j-5100920000-7ff34d59bd5550ad3b9eView in MoNA Predicted LC-MS/MS

    Predicted LC-MS/MS Spectrum – 40V, Negativesplash10-0a4i-9111600000-59df47daebdc87ccd8a4View in MoNA

    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

    FDB014443 KNApSAcK ID

    C00023821 Chemspider ID

    25993032 KEGG Compound ID

    Not Available BioCyc ID

    Not Available BiGG ID

    Not Available Wikipedia Link

    Not Available NuGOwiki Link

    HMDB35719 Metagene Link

    HMDB35719 METLIN ID

    Not Available PubChem Compound

    14109389 PDB ID

    Not Available ChEBI ID

    Not Available

    Product: MMAF-OMe

    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: 12621027