| Common Name |
Amitenone
| Description |
Amitenone is found in mushrooms. Amitenone is a pigment from the edible mushroom Amitake (Suillus bovinus) Amitenone belongs to the family of Diterpenes. These are terpene compounds formed by four isoprene units.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB29550 (Amitenone)
| Synonyms |
| Value |
Source |
2,2'-Methylenebis[3,6-dihydroxy-5-(3,7,11,15-tetramethyl-2,6,10,14-hexadecatetraenyl)]-2,5-cyclohexadiene-1,4-dione, 9ciHMDB
Methylenebis(2,5-dihydroxy-4-all-trans-gerangeranyl-3,6-benzoquinone)HMDB
Methylenebis[2,5-dihydroxy-4-geranylgeranyl-3,6-benzoquinone]HMDB
Methylenediboviquinone-4,4HMDB
| Chemical Formlia |
C53H72O8
| Average Molecliar Weight |
837.134
| Monoisotopic Molecliar Weight |
836.52271928
| IUPAC Name |
2-({2,5-dihydroxy-3,6-dioxo-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-1,4-dien-1-yl}methyl)-3,6-dihydroxy-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-2,5-diene-1,4-dione
| Traditional Name |
2-({2,5-dihydroxy-3,6-dioxo-4-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-1,4-dien-1-yl}methyl)-3,6-dihydroxy-5-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraen-1-yl]cyclohexa-2,5-diene-1,4-dione
| CAS Registry Number |
21682-47-3
| SMILES |
CC(C)=CCCC(C)=CCCC(C)=CCCC(C)=CCC1=C(O)C(=O)C(CC2=C(O)C(=O)C(CC=C(/C)CCC=C(/C)CCC=C(/C)CCC=C(C)C)=C(O)C2=O)=C(O)C1=O
| InChI Identifier |
InChI=1S/C53H72O8/c1-34(2)17-11-19-36(5)21-13-23-38(7)25-15-27-40(9)29-31-42-46(54)50(58)44(51(59)47(42)55)33-45-52(60)48(56)43(49(57)53(45)61)32-30-41(10)28-16-26-39(8)24-14-22-37(6)20-12-18-35(3)4/h17-18,21-22,25-26,29-30,54,56,59,61H,11-16,19-20,23-24,27-28,31-33H2,1-10H3/b36-21+,37-22+,38-25+,39-26+,40-29+,41-30+
| InChI Key |
LJHHBOPEDAEYGJ-JULFZRGUSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as diterpenoids. These are terpene compounds formed by four isoprene units.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Lipids and lipid-like moleclies
| Sub Class |
Prenol lipids
| Direct Parent |
Diterpenoids
| Alternative Parents |
Prenylquinones
P-benzoquinones
Vinylogous acids
Enols
Organic oxides
Hydrocarbon derivatives
| Substituents |
Diterpenoid
Prenylbenzoquinone
Quinone
P-benzoquinone
Vinylogous acid
Cyclic ketone
Ketone
Enol
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic homomonocyclic compound
| Molecliar Framework |
Aliphatic homomonocyclic 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
| Application |
Nutrient
Stabilizers
Surfactants and Emlisifiers
| Cellliar locations |
Extracellliar
Membrane
| Physical Properties |
| State |
Not Available
| Experimental Properties |
| Property |
Value |
Reference |
Melting Point187 – 188 °CNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
| Predicted Properties |
| Property |
Value |
Source |
Water Solubility0.000236 mg/mLALOGPS
logP7.29ALOGPS
logP9.49ChemAxon
logS-6.5ALOGPS
pKa (Strongest Acidic)-6.4ChemAxon
pKa (Strongest Basic)-4.3ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count8ChemAxon
Hydrogen Donor Count4ChemAxon
Polar Surface Area149.2 Å2ChemAxon
Rotatable Bond Count24ChemAxon
Refractivity262.17 m3·mol-1ChemAxon
Polarizability98.03 Å3ChemAxon
Number of Rings2ChemAxon
Bioavailability0ChemAxon
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 |
FDB000697
| KNApSAcK ID |
C00023648
| Chemspider ID |
Not Available
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB29550
| Metagene Link |
HMDB29550
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: SB-366791
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: 24758222
