Common Name |
(-)-Isopinocamphone
Description |
(-)-Isopinocamphone is found in hyssop. (-)-Isopinocamphone is a constituent of Mentha aquatica (water mint).(-)-Isopinocamphone belongs to the family of Bicyclic Monoterpenes. These are monoterpenes containing exactly 2 rings, which are fused to each other.
Structure |
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Structure for HMDB35744 ((-)-Isopinocamphone)
Synonyms |
Value |
Source |
cis-3-PinanoneHMDB
IsopinocamphoneHMDB
Chemical Formlia |
C10H16O
Average Molecliar Weight |
152.2334
Monoisotopic Molecliar Weight |
152.120115134
IUPAC Name |
(1S,2S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
Traditional Name |
(1S,2S,5R)-2,6,6-trimethylbicyclo[3.1.1]heptan-3-one
CAS Registry Number |
14575-93-0
SMILES |
C[C@H]1[C@@H]2C[C@H](CC1=O)C2(C)C
InChI Identifier |
InChI=1S/C10H16O/c1-6-8-4-7(5-9(6)11)10(8,2)3/h6-8H,4-5H2,1-3H3/t6-,7+,8-/m0/s1
InChI Key |
MQPHVIPKLRXGDJ-RNJXMRFFSA-N
Chemical Taxonomy |
Description |
This compound belongs to the class of chemical entities known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
Kingdom |
Chemical entities
Super Class |
Organic compounds
Class |
Lipids and lipid-like moleclies
Sub Class |
Prenol lipids
Direct Parent |
Bicyclic monoterpenoids
Alternative Parents |
Cyclic ketones
Organic oxides
Hydrocarbon derivatives
Substituents |
Pinane monoterpenoid
Bicyclic monoterpenoid
Cyclic ketone
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
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 |
Cytoplasm
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 Solubility0.48 mg/mLALOGPS
logP2.25ALOGPS
logP2.28ChemAxon
logS-2.5ALOGPS
pKa (Strongest Basic)-7.4ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 Å2ChemAxon
Rotatable Bond Count0ChemAxon
Refractivity44.54 m3·mol-1ChemAxon
Polarizability17.9 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, 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 |
Cytoplasm
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 |
FDB014474
KNApSAcK ID |
C00000808
Chemspider ID |
19953543
KEGG Compound ID |
Not Available
BioCyc ID |
Not Available
BiGG ID |
Not Available
Wikipedia Link |
Not Available
NuGOwiki Link |
HMDB35744
Metagene Link |
HMDB35744
METLIN ID |
Not Available
PubChem Compound |
84532
PDB ID |
Not Available
ChEBI ID |
Not Available
Product: NOD-IN-2
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: 24966400