| Common Name |
Isocyperol
| Description |
Isocyperol is found in root vegetables. Isocyperol is a constituent of Cyperus rotundus (nutgrass).Isocyperol belongs to the family of Sesquiterpenes. These are terpenes with three consecutive isoprene units.
| Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB35718 (Isocyperol)
| Synonyms |
| Value |
Source |
(-)-Eudesma-4(14),11-dien-3alpha-olHMDB
2-iodo-N-PhenylpropanamideHMDB
[2R-(2alpha,4Abeta,7beta,8aalpha)]-decahydro-4a-methyl-1-methylene-7-(1-methylethenyl)-2-naphthalenolHMDB
| Chemical Formlia |
C15H24O
| Average Molecliar Weight |
220.3505
| Monoisotopic Molecliar Weight |
220.18271539
| IUPAC Name |
4a-methyl-1-methylidene-7-(prop-1-en-2-yl)-decahydronaphthalen-2-ol
| Traditional Name |
4a-methyl-1-methylidene-7-(prop-1-en-2-yl)-octahydronaphthalen-2-ol
| CAS Registry Number |
20085-00-1
| SMILES |
CC(=C)C1CCC2(C)CCC(O)C(=C)C2C1
| InChI Identifier |
InChI=1S/C15H24O/c1-10(2)12-5-7-15(4)8-6-14(16)11(3)13(15)9-12/h12-14,16H,1,3,5-9H2,2,4H3
| InChI Key |
CZFHAODYOVXPIQ-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of chemical entities known as eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids. These are sesquiterpenoids with a structure based on the eudesmane skeleton.
| Kingdom |
Chemical entities
| Super Class |
Organic compounds
| Class |
Lipids and lipid-like moleclies
| Sub Class |
Prenol lipids
| Direct Parent |
Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoids
| Alternative Parents |
Secondary alcohols
Cyclic alcohols and derivatives
Hydrocarbon derivatives
| Substituents |
Eudesmane, isoeudesmane or cycloeudesmane sesquiterpenoid
Cyclic alcohol
Secondary alcohol
Organic oxygen compound
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 Solubility0.044 mg/mLALOGPS
logP3.86ALOGPS
logP3.35ChemAxon
logS-3.7ALOGPS
pKa (Strongest Acidic)18.1ChemAxon
pKa (Strongest Basic)-1.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity67.9 m3·mol-1ChemAxon
Polarizability26.93 Å3ChemAxon
Number of Rings2ChemAxon
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, Positivesplash10-0uk9-0290000000-362fc6a36e84527b18e3View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Positivesplash10-0w99-2940000000-78acdcdf56729d04e876View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Positivesplash10-02tl-6900000000-04e4def4a7b2aa7d8bdcView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, Negativesplash10-014i-0090000000-579c5e6f2c049ebad78eView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Negativesplash10-014i-0090000000-68b3231296dbc6fa3049View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Negativesplash10-0udr-2940000000-89c5603e1921f51ab865View in MoNA
| 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 |
FDB014442
| KNApSAcK ID |
C00012748
| Chemspider ID |
Not Available
| KEGG Compound ID |
C16974
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB35718
| Metagene Link |
HMDB35718
| METLIN ID |
Not Available
| PubChem Compound |
Not Available
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Sugammadex (sodium)
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: 24768597