Showing Compound Card for (R)-Camphor (CDB000185)

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Record Information
Version1.0
Created at2020-03-18 23:27:56 UTC
Updated at2020-12-07 19:07:14 UTC
CannabisDB IDCDB000185
Secondary Accession NumbersNot Available
Cannabis Compound Identification
Common Name(R)-Camphor
DescriptionCamphor, also known as (+)-camphor or (+)-bornan-2-one, with the chemical formula C10H16O, is a member of the class of compounds known as bicyclic monoterpenoids. Bicyclic monoterpenoids are monoterpenoids containing exactly 2 rings, which are fused to each other. Camphor is a waxy, flammable, white or transparent solid with a strong aroma. Camphor is practically insoluble in water and a neutral compound. Within the cell, camphor is primarily located in the membrane. It is found in many plants, such as in the wood of the camphor laurel (Cinnamomum camphora), laurel (Ocotea usambarensis), Kapur tree, in the oil of rosemary leaves (Rosmarinus officinalis), the mint family (10 to 20% camphor), camphorweed (Heterotheca; 5%), camphor basil (the parent of African blue basil) and cannabis plants (PMID:6991645 ). Camphor can also be synthetically produced from oil of turpentine. Camphor is also used for its scent, as an ingredient in cooking (mainly in India), as an embalming fluid, for medicinal purposes, and in religious ceremonies.
Structure
Thumb
MOLSDF3D-SDFPDBSMILESInChI View 3D Structure
Synonyms
ValueSource
(+)-Bornan-2-oneChEBI
(+)-CamphorChEBI
(1R)-(+)-CamphorChEBI
(1R,4R)-CamphorChEBI
(R)-(+)-CamphorChEBI
Camphor(D)ChEBI
D-CamphorChEBI
CamphoraHMDB
CAMPHORChEBI
(1R,4R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-onePhytoBank
(1R)-1,7,7-Trimethylbicyclo[2.2.1]heptan-2-onePhytoBank
(+)-(1R,4R)-CamphorPhytoBank
(1R)-CamphorPhytoBank
(1R,4R)-(+)-CamphorPhytoBank
(R)-CamphorPhytoBank
D-(+)-CamphorPhytoBank
AlcanforPhytoBank
(+)-2-BornanonePhytoBank
(±)-CamphorPhytoBank
1,7,7-Trimethylbicyclo[2.2.1]heptan-2-onePhytoBank
1,7,7-Trimethylbicyclo[2.2.1]-2-heptanonePhytoBank
1,7,7-TrimethylnorcamphorPhytoBank
2-BornanonePhytoBank
2-CamphanonePhytoBank
AlphanonPhytoBank
Borneo camphorPhytoBank
dl-CamphorPhytoBank
Chemical FormulaC10H16O
Average Molecular Weight152.23
Monoisotopic Molecular Weight152.1201
IUPAC Name(1R,4R)-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one
Traditional Name(+)-camphor
CAS Registry Number464-49-3
SMILES
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2
InChI Identifier
InChI=1S/C10H16O/c1-9(2)7-4-5-10(9,3)8(11)6-7/h7H,4-6H2,1-3H3/t7-,10+/m1/s1
InChI KeyDSSYKIVIOFKYAU-XCBNKYQSSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as bicyclic monoterpenoids. These are monoterpenoids containing exactly 2 rings, which are fused to each other.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassMonoterpenoids
Direct ParentBicyclic monoterpenoids
Alternative Parents
Substituents
  • Bicyclic monoterpenoid
  • Bornane monoterpenoid
  • Ketone
  • Organic oxygen compound
  • Organic oxide
  • Hydrocarbon derivative
  • Organooxygen compound
  • Carbonyl group
  • Aliphatic homopolycyclic compound
Molecular FrameworkAliphatic homopolycyclic compounds
External Descriptors
Ontology
Disposition

Route of exposure:

Source:

Biological location:

Role

Biological role:

Industrial application:

Physical Properties
StateSolid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
logPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP2.85ALOGPS
logP2.55ChemAxon
logS-2.2ALOGPS
pKa (Strongest Basic)-7.5ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area17.07 ŲChemAxon
Rotatable Bond Count0ChemAxon
Refractivity44.49 m³·mol⁻¹ChemAxon
Polarizability17.74 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Spectra
EI-MS/GC-MS
TypeDescriptionSplash KeyView
GC-MS(R)-Camphor, non-derivatized, GC-MS Spectrumsplash10-05nb-9200000000-1b9d8eae41ec7b1ad819Spectrum
GC-MS(R)-Camphor, non-derivatized, GC-MS Spectrumsplash10-05o1-9300000000-f5c5e5805061cef08d31Spectrum
GC-MS(R)-Camphor, non-derivatized, GC-MS Spectrumsplash10-05nb-9200000000-1b9d8eae41ec7b1ad819Spectrum
GC-MS(R)-Camphor, non-derivatized, GC-MS Spectrumsplash10-05o1-9300000000-f5c5e5805061cef08d31Spectrum
GC-MS(R)-Camphor, non-derivatized, GC-MS Spectrumsplash10-0apj-9200000000-b60c6ba86e98d8957f4cSpectrum
Predicted GC-MS(R)-Camphor, non-derivatized, Predicted GC-MS Spectrum - 70eV, Positivesplash10-0a4r-5900000000-f1efb31da7c673a3dbe9Spectrum
Predicted GC-MS(R)-Camphor, non-derivatized, Predicted GC-MS Spectrum - 70eV, PositiveNot AvailableSpectrum
MS/MS
TypeDescriptionSplash KeyView
MS/MSLC-MS/MS Spectrum - Orbitrap 1V, positivesplash10-0udi-0900000000-473e75212a2f85c96f472020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 2V, positivesplash10-0udi-0900000000-a22b656c0deb7c8741932020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 2V, positivesplash10-0udi-1900000000-2997e87577c32b45d6642020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 3V, positivesplash10-0udi-2900000000-cd2eb38205866f332c232020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 3V, positivesplash10-0udi-2900000000-6caefe4ef3e5e81488da2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 3V, positivesplash10-0zfs-4900000000-894e638d92388a5e4af32020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 4V, positivesplash10-0pba-6900000000-d5179d82d66598550a5c2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 5V, positivesplash10-0a4j-9700000000-db8ac65206052c58e8022020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 6V, positivesplash10-0a4j-9400000000-7e65358b05579b22ac252020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 8V, positivesplash10-0aos-9200000000-5f3dbbeac3b4feb1cbd72020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 10V, positivesplash10-0aor-9100000000-cd68008e75839a129e402020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 11V, positivesplash10-0ar3-9100000000-34370c88f677ebf3e3d12020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 14V, positivesplash10-0693-9000000000-a49e3a173424c543ea092020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 10V, positivesplash10-052s-3900000000-82f365dbef70fb887e4d2020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 10V, positivesplash10-014i-9000000000-6701bba716a6affa87662020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 10V, positivesplash10-014i-9000000000-b6243bcbfda9f0c328302020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 10V, positivesplash10-0a4i-2900000000-96d8696c7876804c13762020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - n/a 10V, positivesplash10-004l-9000000000-6f6473eb4514971745c02020-07-22View Spectrum
MS/MSLC-MS/MS Spectrum - Orbitrap 1V, positivesplash10-000i-0900000000-99e6f12e784ac6aabdeb2020-07-22View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Positivesplash10-0udi-0900000000-4cafcac5e85025eeaec82017-07-25View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Positivesplash10-0udi-0900000000-17669f71449bccac9c8d2017-07-25View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Positivesplash10-014r-6900000000-c20f4b32cffb282dfffc2017-07-25View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 10V, Negativesplash10-0udi-0900000000-870908e69f6481ec31c42017-07-26View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 20V, Negativesplash10-0udi-0900000000-1949b2aa08f3b1e304ac2017-07-26View Spectrum
Predicted MS/MSPredicted LC-MS/MS Spectrum - 40V, Negativesplash10-059f-4900000000-44e9c7b01eae3def86c42017-07-26View Spectrum
NMRNot Available
Pathways
Pathways
Protein Targets
EnzymesNot Available
TransportersNot Available
Metal BindingsNot Available
ReceptorsNot Available
Transcriptional FactorsNot Available
Concentrations Data
Not Available
HMDB IDHMDB0059838
DrugBank IDDB01744
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDC00000819
Chemspider ID139902
KEGG Compound IDNot Available
BioCyc IDCPD-862
BiGG IDNot Available
Wikipedia LinkCamphor
METLIN IDNot Available
PubChem Compound159055
PDB IDNot Available
ChEBI ID15396
References
General References
  1. Turner CE, Elsohly MA, Boeren EG: Constituents of Cannabis sativa L. XVII. A review of the natural constituents. J Nat Prod. 1980 Mar-Apr;43(2):169-234. doi: 10.1021/np50008a001. [PubMed:6991645 ]