| Common Name |
p-Menthan-4-ol
| Description |
p-Menthan-4-ol is found in mentha (mint). p-Menthan-4-ol is present in turpentine from Pinus sylvestris (Scotch pine) p-Menthan-4-ol belongs to the family of p-Menthane Monoterpenes. These are monoterpenes whose structure is based on the p-menthane backbone.
| Structure |
MOLSDFPDBSMILESInChI
Structure for HMDB35726 (p-Menthan-4-ol)
| Synonyms |
| Value |
Source |
1-Isopropyl-4-methylcyclohexanolHMDB
4-Methyl-1-(1-methylethyl)-cyclohexanolHMDB
4-Methyl-1-(1-methylethyl)cyclohexanolHMDB
| Chemical Formlia |
C10H20O
| Average Molecliar Weight |
156.2652
| Monoisotopic Molecliar Weight |
156.151415262
| IUPAC Name |
4-methyl-1-(propan-2-yl)cyclohexan-1-ol
| Traditional Name |
1-isopropyl-4-methylcyclohexan-1-ol
| CAS Registry Number |
470-65-5
| SMILES |
CC(C)C1(O)CCC(C)CC1
| InChI Identifier |
InChI=1S/C10H20O/c1-8(2)10(11)6-4-9(3)5-7-10/h8-9,11H,4-7H2,1-3H3
| InChI Key |
LWKGCZOYSGKTLB-UHFFFAOYSA-N
| Chemical Taxonomy |
| Description |
This compound belongs to the class of organic compounds known as menthane monoterpenoids. These are monoterpenoids with a structure based on the o-, m-, or p-menthane backbone. P-menthane consists of the cyclohexane ring with a methyl group and a (2-methyl)-propyl group at the 1 and 4 ring position, respectively. The o- and m- menthanes are much rarer, and presumably arise by alkyl migration of p-menthanes.
| Kingdom |
Organic compounds
| Super Class |
Lipids and lipid-like moleclies
| Class |
Prenol lipids
| Sub Class |
Monoterpenoids
| Direct Parent |
Menthane monoterpenoids
| Alternative Parents |
Monocyclic monoterpenoids
Cyclohexanols
Tertiary alcohols
Cyclic alcohols and derivatives
Hydrocarbon derivatives
| Substituents |
Menthane monoterpenoid
Monocyclic monoterpenoid
Cyclohexanol
Tertiary alcohol
Cyclic alcohol
Hydrocarbon derivative
Organooxygen compound
Alcohol
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
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 Solubility0.38 mg/mLALOGPS
logP3.17ALOGPS
logP2.74ChemAxon
logS-2.6ALOGPS
pKa (Strongest Basic)-0.58ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 Å2ChemAxon
Rotatable Bond Count1ChemAxon
Refractivity47.46 m3·mol-1ChemAxon
Polarizability19.38 Å3ChemAxon
Number of Rings1ChemAxon
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, Positivesplash10-052r-1900000000-9f3ecdbc2166f892787cView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Positivesplash10-052r-6900000000-c755147614ad7215cf17View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Positivesplash10-0a4i-9200000000-e3feb5b6c1b83ce965c9View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, Positivesplash10-052r-1900000000-9f3ecdbc2166f892787cView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Positivesplash10-052r-6900000000-c755147614ad7215cf17View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Positivesplash10-0a4i-9200000000-e3feb5b6c1b83ce965c9View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, Negativesplash10-0a4i-0900000000-bb7a6ef08c307d108516View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Negativesplash10-0a4i-0900000000-25f80d520fa262f608beView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Negativesplash10-0bu9-9800000000-09401247c5521c774cb5View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 10V, Negativesplash10-0a4i-0900000000-bb7a6ef08c307d108516View in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 20V, Negativesplash10-0a4i-0900000000-25f80d520fa262f608beView in MoNA
| Predicted LC-MS/MS |
Predicted LC-MS/MS Spectrum – 40V, Negativesplash10-0bu9-9800000000-09401247c5521c774cb5View 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 |
FDB014454
| KNApSAcK ID |
C00010898
| Chemspider ID |
499681
| KEGG Compound ID |
Not Available
| BioCyc ID |
Not Available
| BiGG ID |
Not Available
| Wikipedia Link |
Not Available
| NuGOwiki Link |
HMDB35726
| Metagene Link |
HMDB35726
| METLIN ID |
Not Available
| PubChem Compound |
574674
| PDB ID |
Not Available
| ChEBI ID |
Not Available
Product: Ibrutinib-biotin
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: 23227233
