| Common Name |
Ganoderenic acid B
| Description |
Ganoderenic acid B is found in mushrooms. Ganoderenic acid B is a constituent of Ganoderma lucidum (reishi).Ganoderenic acid B belongs to the family of Triterpenes. These are terpene moleclies containing 8 isoprene units.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB35709 (Ganoderenic acid B)
| Synonyms |
| Value |
Source |
3b,7b-Dihydroxy-11,15,23-trioxolanosta-8,20(22)e-dien-26-Oic acidHMDB
| Chemical Formlia |
C30H42O7
| Average Molecliar Weight |
514.6503
| Monoisotopic Molecliar Weight |
514.293053698
| IUPAC Name |
(5Z)-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-oxohept-5-enoic acid
| Traditional Name |
(5Z)-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-oxohept-5-enoic acid
| CAS Registry Number |
100665-41-6
| SMILES |
CC(CC(=O)C=C(C)C1CC(=O)C2(C)C3=C(C(=O)CC12C)C1(C)CCC(O)C(C)(C)C1CC3O)C(O)=O
| InChI Identifier |
InChI=1S/C30H42O7/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/h10,16,18-19,21-22,32,34H,8-9,11-14H2,1-7H3,(H,36,37)/b15-10-
| InChI Key |
QECQJYAIIIIKJB-GDNBJRDFSA-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 |
Steroid acids
11-oxosteroids
3-hydroxysteroids
7-hydroxysteroids
Medium-chain keto acids and derivatives
Gamma-keto acids and derivatives
Methyl-branched fatty acids
Hydroxy fatty acids
Cyclohexenones
Unsaturated fatty acids
Enones
Acryloyl compounds
Secondary alcohols
Cyclic alcohols and derivatives
Monocarboxylic acids and derivatives
Carboxylic acids
Hydrocarbon derivatives
Organic oxides
| Substituents |
Triterpenoid
23-oxosteroid
Steroid acid
3-hydroxysteroid
11-oxosteroid
15-oxosteroid
Oxosteroid
7-hydroxysteroid
Hydroxysteroid
Steroid
Medium-chain keto acid
Gamma-keto acid
Branched fatty acid
Cyclohexenone
Hydroxy fatty acid
Methyl-branched fatty acid
Keto acid
Fatty acyl
Unsaturated fatty acid
Acryloyl-group
Cyclic alcohol
Enone
Alpha,beta-unsaturated ketone
Secondary alcohol
Ketone
Carboxylic acid
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Carbonyl group
Organic oxide
Organooxygen compound
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 Point211 – 214 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.012 mg/mLALOGPS
logP3.71ALOGPS
logP3.26ChemAxon
logS-4.6ALOGPS
pKa (Strongest Acidic)4.28ChemAxon
pKa (Strongest Basic)-0.81ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count7ChemAxon
Hydrogen Donor Count3ChemAxon
Polar Surface Area128.97 Å2ChemAxon
Rotatable Bond Count5ChemAxon
Refractivity139.76 m3·mol-1ChemAxon
Polarizability54.75 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
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 |
FDB014431
| KNApSAcK ID |
C00030350
| Chemspider ID |
Not Available
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB35709
| Metagene Link |
HMDB35709
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: 8beta-Hydroxylathyrol
References |
| Synthesis Reference |
Not Available |
| Material Safety Data Sheet (MSDS) |
Not Available |
| General References |
- (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
|
PMID: 19708658