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Showing NP-Card for Gamma-terpinene (NP0001114)

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Record Information
Version2.0
Created at2007-01-23 13:01:01 UTC
Updated at2024-09-17 15:44:01 UTC
NP-MRD IDNP0001114
Natural Product DOIhttps://doi.org/10.57994/2770
Secondary Accession NumbersNone
Natural Product Identification
Common NameGamma-terpinene
DescriptionGamma-terpinene is one of four isomeric monoterpenes (the other three being alpha terpinene, beta terpinene and delta terpinene). It is a naturally occurring terpinene and has been isolated from a variety of plant sources. It has the highest boiling point of the four known terpinene isomers. It is a major component of essential oils made from citrus fruits and has a strong antioxidant activity. It has a lemon-like or lime-like odor and is widely used in food, flavours, soaps, cosmetics, pharmaceutical, tabacco, confectionery and perfume industries (http://Www.Gyanflavoursexport.Com). The other isomers of gamma-terpinene, such as alpha-terpinene and delta-terpinene, have been isolated from cardamom and marjoram oils while beta terpinene appears to have no natural source.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0001114 (Gamma-terpinene)


  Mrv1652309272007332D          

 10 10  0  0  0  0            999 V2000
   -1.1160    0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305   -0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160   -0.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015   -0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    1.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0273    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5450   -0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
Download

3D MOL for NP0001114 (Gamma-terpinene)

HMDB0005806
     RDKit          3D
gamma-Terpinene
 26 26  0  0  0  0  0  0  0  0999 V2000
    3.3889    0.8142    0.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653    0.2010    0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6647    0.6507   -0.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4321   -0.0086   -1.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4851   -0.4311   -0.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9716   -0.3847   -0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6206   -0.8055    0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4344    1.0497   -0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0505   -0.8699    0.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -0.9235    0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2487    1.0700    1.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2013    0.0459    0.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588    1.7133    0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0799    1.4691   -1.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7606   -0.8905   -2.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0999    0.6635   -2.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3519   -0.9941   -1.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4266   -1.8694    1.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7315   -0.6308    0.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3031   -0.1004    1.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2252    1.3584   -1.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5434    1.0355   -0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0151    1.7504   -0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5835   -1.1940    1.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8564   -1.8998    0.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7515   -0.8194    1.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  2  0
  9 10  1  0
 10  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  7 20  1  0
  8 21  1  0
  8 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 10 26  1  0
M  END
Download

3D SDF for NP0001114 (Gamma-terpinene)


  Mrv1652309272007332D          

 10 10  0  0  0  0            999 V2000
   -1.1160    0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8305   -0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1160   -0.7803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015   -0.3679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4015    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    0.8696    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3128    1.6946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0273    0.4571    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5450   -0.7805    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  3 10  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0001114

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1=CCC(C)=CC1

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3

> <INCHI_KEY>
YKFLAYDHMOASIY-UHFFFAOYSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.238

> <EXACT_MASS>
136.125200515

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.614568319586297

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene

> <ALOGPS_LOGP>
4.36

> <JCHEM_LOGP>
3.1618789813333334

> <ALOGPS_LOGS>
-2.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
47.5528

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.35e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
α terpinene

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for NP0001114 (Gamma-terpinene)

HMDB0005806
     RDKit          3D
gamma-Terpinene
 26 26  0  0  0  0  0  0  0  0999 V2000
    3.3889    0.8142    0.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1653    0.2010    0.1916 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6647    0.6507   -0.9281 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4321   -0.0086   -1.4494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4851   -0.4311   -0.3721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9716   -0.3847   -0.5092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6206   -0.8055    0.7880 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4344    1.0497   -0.7739 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0505   -0.8699    0.7643 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5330   -0.9235    0.9201 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2487    1.0700    1.8492 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2013    0.0459    0.6672 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6588    1.7133    0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0799    1.4691   -1.5069 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7606   -0.8905   -2.0509 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0999    0.6635   -2.1736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3519   -0.9941   -1.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4266   -1.8694    1.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7315   -0.6308    0.6832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3031   -0.1004    1.5838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2252    1.3584   -1.8054 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5434    1.0355   -0.6104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0151    1.7504   -0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5835   -1.1940    1.5906 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8564   -1.8998    0.5024 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7515   -0.8194    1.9916 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  5  9  2  0
  9 10  1  0
 10  2  1  0
  1 11  1  0
  1 12  1  0
  1 13  1  0
  3 14  1  0
  4 15  1  0
  4 16  1  0
  6 17  1  0
  7 18  1  0
  7 19  1  0
  7 20  1  0
  8 21  1  0
  8 22  1  0
  8 23  1  0
  9 24  1  0
 10 25  1  0
 10 26  1  0
M  END
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PDB for NP0001114 (Gamma-terpinene)

HEADER    PROTEIN                                 27-SEP-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-SEP-20         0                                  
HETATM    1  C   UNK     0      -2.083   1.623   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -3.417   0.853   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -3.417  -0.687   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.083  -1.457   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -0.749  -0.687   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -0.749   0.853   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.584   1.623   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.584   3.163   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.918   0.853   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.751  -1.457   0.000  0.00  0.00           C+0
CONECT    1    2    6                                                       
CONECT    2    1    3                                                       
CONECT    3    2    4   10                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    1    5    7                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    3                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   20    0
END
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3D PDB for NP0001114 (Gamma-terpinene)

COMPND    HMDB0005806
HETATM    1  C1  UNL     1       3.389   0.814   0.761  1.00  0.00           C  
HETATM    2  C2  UNL     1       2.165   0.201   0.192  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.665   0.651  -0.928  1.00  0.00           C  
HETATM    4  C4  UNL     1       0.432  -0.009  -1.449  1.00  0.00           C  
HETATM    5  C5  UNL     1      -0.485  -0.431  -0.372  1.00  0.00           C  
HETATM    6  C6  UNL     1      -1.972  -0.385  -0.509  1.00  0.00           C  
HETATM    7  C7  UNL     1      -2.621  -0.806   0.788  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.434   1.050  -0.774  1.00  0.00           C  
HETATM    9  C9  UNL     1       0.051  -0.870   0.764  1.00  0.00           C  
HETATM   10  C10 UNL     1       1.533  -0.923   0.920  1.00  0.00           C  
HETATM   11  H1  UNL     1       3.249   1.070   1.849  1.00  0.00           H  
HETATM   12  H2  UNL     1       4.201   0.046   0.667  1.00  0.00           H  
HETATM   13  H3  UNL     1       3.659   1.713   0.203  1.00  0.00           H  
HETATM   14  H4  UNL     1       2.080   1.469  -1.507  1.00  0.00           H  
HETATM   15  H5  UNL     1       0.761  -0.890  -2.051  1.00  0.00           H  
HETATM   16  H6  UNL     1      -0.100   0.663  -2.174  1.00  0.00           H  
HETATM   17  H7  UNL     1      -2.352  -0.994  -1.333  1.00  0.00           H  
HETATM   18  H8  UNL     1      -2.427  -1.869   1.043  1.00  0.00           H  
HETATM   19  H9  UNL     1      -3.731  -0.631   0.683  1.00  0.00           H  
HETATM   20  H10 UNL     1      -2.303  -0.100   1.584  1.00  0.00           H  
HETATM   21  H11 UNL     1      -2.225   1.358  -1.805  1.00  0.00           H  
HETATM   22  H12 UNL     1      -3.543   1.036  -0.610  1.00  0.00           H  
HETATM   23  H13 UNL     1      -2.015   1.750  -0.026  1.00  0.00           H  
HETATM   24  H14 UNL     1      -0.583  -1.194   1.591  1.00  0.00           H  
HETATM   25  H15 UNL     1       1.856  -1.900   0.502  1.00  0.00           H  
HETATM   26  H16 UNL     1       1.752  -0.819   1.992  1.00  0.00           H  
CONECT    1    2   11   12   13
CONECT    2    3    3   10
CONECT    3    4   14
CONECT    4    5   15   16
CONECT    5    6    9    9
CONECT    6    7    8   17
CONECT    7   18   19   20
CONECT    8   21   22   23
CONECT    9   10   24
CONECT   10   25   26
END
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SMILES for NP0001114 (Gamma-terpinene)

CC(C)C1=CCC(C)=CC1
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INCHI for NP0001114 (Gamma-terpinene)

InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
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View in JSmolView NMR Assignments
Synonyms
ValueSource
1,4-p-MenthadieneChEBI
1-Isopropyl-4-methyl-1,4-cyclohexadieneChEBI
1-Isopropyl-4-methylcyclohexa-1,4-dieneChEBI
1-Methyl-4-(1-methylethyl)-1,4-cyclohexadieneChEBI
1-Methyl-4-propan-2-ylcyclohexa-1,4-dieneChEBI
4-Isopropyl-1-methyl-1,4-cyclohexadieneChEBI
CrithmeneChEBI
MosleneChEBI
p-Mentha-1,4-dieneChEBI
g-TerpineneGenerator
Γ-terpineneGenerator
1-Methyl-4-(propan-2-yl)cyclohexa-1,4-dieneHMDB
alpha TerpineneHMDB
gamma TerpineneHMDB
gamma-TerpinenHMDB
TerpineneHMDB
1-Methyl-4-isopropyl-1,4-cyclohexadieneHMDB
Γ-terpinenHMDB
gamma-TerpinenePhytoBank
Chemical FormulaC10H16
Average Mass136.2380 Da
Monoisotopic Mass136.12520 Da
IUPAC Name1-methyl-4-(propan-2-yl)cyclohexa-1,4-diene
Traditional Nameα terpinene
CAS Registry Number99-85-4
SMILES
CC(C)C1=CCC(C)=CC1
InChI Identifier
InChI=1S/C10H16/c1-8(2)10-6-4-9(3)5-7-10/h4,7-8H,5-6H2,1-3H3
InChI KeyYKFLAYDHMOASIY-UHFFFAOYSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
HSQC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)bgnzk@missouri.eduSumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USADr. Bharat Goel2024-06-06View Spectrum
COSY NMR[1H, 1H] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)bgnzk@missouri.eduSumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USADr. Bharat Goel2024-06-06View Spectrum
HMBC NMR[1H, 13C] NMR Spectrum (2D, 600 MHz, CDCl3, experimental)bgnzk@missouri.eduSumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USADr. Bharat Goel2024-06-06View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, CDCl3, experimental)bgnzk@missouri.eduSumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USADr. Bharat Goel2024-06-06View Spectrum
1D NMR1H NMR Spectrum (1D, 600 MHz, CDCl3, experimental)bgnzk@missouri.eduSumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USADr. Bharat Goel2024-06-06View Spectrum
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 252 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 50 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 75 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 101 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 126 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 151 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 176 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 201 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR13C NMR Spectrum (1D, 226 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
1D NMR1H NMR Spectrum (1D, 600, CDCl3, simulated)bgnzk@missouri.eduSumner Lab, MU Metabolomics Center, University of Missouri, Columbia. MO, USADr. Bharat Goel2024-06-06View Spectrum
Species
Species of Origin
Species NameSourceReference
Abies albaLOTUS Database
Abies sachalinensisLOTUS Database
Abies sibiricaLOTUS Database
Acca sellowianaKNApSAcK Database
Achillea abrotanoidesLOTUS Database
Achillea millefoliumLOTUS Database
Achillea moschataLOTUS Database
Acorus calamusLOTUS Database
Acorus calanus L.KNApSAcK Database
Actinodium cunninghamiiLOTUS Database
Aegle marmelosLOTUS Database
Aframomum angustifoliumLOTUS Database
Aframomum meleguetaLOTUS Database
Agathosma betulinaLOTUS Database
Ajania fastigiataLOTUS Database
Allium sativumKNApSAcK Database
Aloysia citrodoraLOTUS Database
Alphinia galanga-
Alpinia galangaLOTUS Database
Alpinia zerumbetLOTUS Database
Ambrosia artemisiifoliaLOTUS Database
Anethum foeniculumPlant
Anethum graveolensFooDB
Anthemis aciphyllaLOTUS Database
Anthemis aciphylla BOISS.var.discoidea BOISSKNApSAcK Database
Apium graveolensFooDB
Apium graveolens var. dulceFooDB
    • Fredy A. Van Wassenhove, Patrick J. Dirinck, Niceas M. Schamp, and Georges A. Vulsteke. Effect of...
Apium graveolens var. rapaceumFooDB
    • Glesni MacLeod and Jennifer M. Ames. Volatile components of celery and celeriac. Phytochemistry. ...
Artemisia afraLOTUS Database
Artemisia annuaKNApSAcK Database
Artemisia arborescensLOTUS Database
Artemisia argyiLOTUS Database
Artemisia capillarisLOTUS Database
Artemisia dracunculusFooDB
Artemisia dubiaLOTUS Database
Artemisia halophilaLOTUS Database
Artemisia herba-albaLOTUS Database
Artemisia salsoloidesLOTUS Database
Artemisia sericeaLOTUS Database
Artemisia spicigeraLOTUS Database
Artemisia thusculaLOTUS Database
Artemisia xerophyticaLOTUS Database
Aspalathus linearisLOTUS Database
Aster scaberLOTUS Database
Atalantia buxifoliaLOTUS Database
Atalantia guillauminiiKNApSAcK Database
Athamanta macedonicaLOTUS Database
Austrobaileya scandensLOTUS Database
Baccharis dracunculifoliaLOTUS Database
Baccharis tucumanensisLOTUS Database
Baeckea frutescens-
Bazzania japonicaLOTUS Database
Bellis perennisLOTUS Database
Blepharocalyx tweedieiLOTUS Database
Boswellia sacraLOTUS Database
Bothriochloa bladhiiLOTUS Database
Brassica oleracea var. botrytisFooDB
    • L. Valettea X. Fernandez, S. Poulain, A.-M. Loiseau, L. Lizzani-Cuvelier, R. Levieil, L. Restier....
Brassica oleracea var. capitataFooDB
Bunium persicumLOTUS Database
Bupleurum fruticescensLOTUS Database
Bupleurum fruticosumLOTUS Database
Calamintha nepeta subsp. glandulosaKNApSAcK Database
Callistemon linearisLOTUS Database
Calyptranthes spruceanaLOTUS Database
Canella winteranaLOTUS Database
Cannabis sativaCannabisDB
      Not Available
Cantinoa americanaLOTUS Database
Cantinoa mutabilisLOTUS Database
Capsicum annuumFooDB
Carica papaya L.FooDB
Carum carviFooDB
Carum copticumKNApSAcK Database
Cedrus libaniKNApSAcK Database
Centaurea atropurpureaKNApSAcK Database
Centaurea orientalisKNApSAcK Database
Centella asiaticaLOTUS Database
Cephaelis ipecacuanhaLOTUS Database
Chaerophyllum azoricumLOTUS Database
Chamaecyparis lawsonianaLOTUS Database
Chamaecyparis obtusaLOTUS Database
Chiliadenus lopadusanusLOTUS Database
Chromolaena odorataLOTUS Database
Cinnamomum aromaticumFooDB
Cinnamomum burmanniLOTUS Database
Cinnamomum illicioidesKNApSAcK Database
Cinnamomum longepaniculatumKNApSAcK Database
Cinnamomum verumFooDB
Cistus albidusKNApSAcK Database
Cistus creticusKNApSAcK Database
Cistus incanusLOTUS Database
Cistus monspeliensisLOTUS Database
Citrus ×limon (L.) Burm. f. (pro sp.)-
Citrus aurantifoliaKNApSAcK Database
Citrus aurantiifoliaFooDB
Citrus aurantiumLOTUS Database
Citrus bergamiaKNApSAcK Database
Citrus deliciosaKNApSAcK Database
Citrus iyoLOTUS Database
Citrus junosLOTUS Database
Citrus limonKNApSAcK Database
Citrus medicaLOTUS Database
Citrus natsudaidaiLOTUS Database
Citrus paradisiKNApSAcK Database
Citrus reticulataKNApSAcK Database
Citrus sinensisLOTUS Database
Citrus sinensis L.KNApSAcK Database
Citrus spp.KNApSAcK Database
Citrus unshiuLOTUS Database
Citrus wilsoniiLOTUS Database
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Cleistopholis patensLOTUS Database
Cleonia lusitanicaLOTUS Database
Clinopodium carolinianumLOTUS Database
Clinopodium serpyllifoliumLOTUS Database
Commiphora gurrehLOTUS Database
Conyza newiiKNApSAcK Database
Coriandrum sativumKNApSAcK Database
Coriandrum sativum L.FooDB
Coridothymus capitatusKNApSAcK Database
Corymbia maculataLOTUS Database
Crithmum maritimumLOTUS Database
Crocus sativusFooDB
Croton acronychioidesLOTUS Database
Cryptomeria japonicaLOTUS Database
Cuminum cyminumFooDB
Cuminum cyminum L.KNApSAcK Database
Cunila microcephalaLOTUS Database
Cupressus sempervirensLOTUS Database
Curcuma amanda RoxbKNApSAcK Database
Curcuma longaFooDB
Curcuma manggaKNApSAcK Database
Curcuma pierreanaLOTUS Database
Cymbopogon flexuosusLOTUS Database
Cymbopogon martiniiLOTUS Database
Cymbopogon schoenanthusLOTUS Database
Dacrydium nidulumLOTUS Database
Daucus carotaKNApSAcK Database
Daucus carota ssp. sativusFooDB
Daucus littoralisLOTUS Database
Diplotaenia cachrydifoliaLOTUS Database
Echinophora tenuifoliaLOTUS Database
Elettaria cardamomumFooDB
Elsholtzia fruticosaLOTUS Database
Elsholtzia pilosaLOTUS Database
Erigeron canadensisLOTUS Database
Eryngium foetidumLOTUS Database
Espeletia timotensisLOTUS Database
Eucalyptus-
Eucalyptus apodophyllaLOTUS Database
Eucalyptus brassianaLOTUS Database
Eucalyptus bridgesianaLOTUS Database
Eucalyptus camaldulensisKNApSAcK Database
Eucalyptus cloezianaLOTUS Database
Eucalyptus crenulataLOTUS Database
Eucalyptus dealbataLOTUS Database
Eucalyptus delegatensisLOTUS Database
Eucalyptus globulusLOTUS Database
Eucalyptus longifoliaLOTUS Database
Eucalyptus moluccanaLOTUS Database
Eucalyptus nitensLOTUS Database
Eucalyptus nova-anglicaLOTUS Database
Eucalyptus ochrophloiaLOTUS Database
Eucalyptus pulverulentaLOTUS Database
Eucalyptus radiataLOTUS Database
Eucalyptus spp.KNApSAcK Database
Eucalyptus tetrapteraLOTUS Database
Eucalyptus urophyllaKNApSAcK Database
Eugenia unifloraLOTUS Database
Feijoa sellowianaPlant
Ferulago nodosaLOTUS Database
Foeniculum vulgareKNApSAcK Database
Gossypium hirsutumLOTUS Database
Gossypium sturtianumLOTUS Database
Hedychium coronariumLOTUS Database
Hedychium spicatumLOTUS Database
Hedyosmum mexicanumLOTUS Database
Helichrysum odoratissimumLOTUS Database
Heracleum dissectumLOTUS Database
Heracleum persicumLOTUS Database
Heterotheca subaxillarisLOTUS Database
Homalomena occultaLOTUS Database
Houttuynia cordataKNApSAcK Database
Houttuynia emeiensisKNApSAcK Database
Humulus lupulusKNApSAcK Database
Hypericum hyssopifoliumLOTUS Database
Hyptis suaveolensLOTUS Database
Hyssopus officinalis L.FooDB
Hyssopus seravschanicusLOTUS Database
Illicium verumFooDB
Isodon melissoidesLOTUS Database
Juglans regiaLOTUS Database
Juniperus communisLOTUS Database
Juniperus drupaceaLOTUS Database
Juniperus excelsaLOTUS Database
Juniperus foetidissimaLOTUS Database
Juniperus jaliscanaLOTUS Database
Juniperus monticolaLOTUS Database
Juniperus rigidaLOTUS Database
Juniperus spp.KNApSAcK Database
Juniperus taxifoliaLOTUS Database
Kunzea paucifloraLOTUS Database
Lagoecia cuminoidesLOTUS Database
Lantana camaraLOTUS Database
Lantana ukambensisLOTUS Database
Larix gmeliniLOTUS Database
Larix kaempferiLOTUS Database
Larix laricinaLOTUS Database
Larix sibiricaLOTUS Database
Larix sukaczewiiLOTUS Database
Laurus nobilisLOTUS Database
Laurus nobilis L.FooDB
Lavandin abrialis-
Lavandula angustifoliaKNApSAcK Database
Lavandula dentataKNApSAcK Database
Lavandula latifoliaLOTUS Database
Lavandula multifidaKNApSAcK Database
Lavandula stoechasKNApSAcK Database
Leonotis leonurusLOTUS Database
Lepechinia chamaedryoidesLOTUS Database
Lepechinia floribundaLOTUS Database
Leptospermum scopariumKNApSAcK Database
Levisticum officinaleFooDB
Lippia multifloraKNApSAcK Database
Lippia nodifloraLOTUS Database
Lippia origanoidesLOTUS Database
Lippia ukambensisKNApSAcK Database
Liquidambar styracifluaLOTUS Database
Liriodendron tulipiferaLOTUS Database
Litchi chinensisLOTUS Database
Litsea glaucescensLOTUS Database
Mandragora autumnalisKNApSAcK Database
Mangifera indicaKNApSAcK Database
Matricaria chamomillaLOTUS Database
Melaleuca alternifoliaKNApSAcK Database
Melaleuca leucadendra L.KNApSAcK Database
Melaleuca linariifoliaLOTUS Database
MenthaFooDB
Mentha aquaticaFooDB
Mentha arvensisFooDB
Mentha piperitaLOTUS Database
Mentha piperita L.KNApSAcK Database
Mentha rotundifoliaLOTUS Database
Mentha spicataFooDB
Mentha spp.KNApSAcK Database
Mentha x piperitaFooDB
Methylosinus trichosporiumLOTUS Database
Micromeria bifloraLOTUS Database
Micromeria cristataLOTUS Database
Micromeria myrtifoliaLOTUS Database
Micromeria variaLOTUS Database
Minthostachys andinaLOTUS Database
Monarda citriodoraLOTUS Database
Monarda fistulosaLOTUS Database
Monodora myristicaKNApSAcK Database
Mosla cavalerieiLOTUS Database
Mosla chinensisLOTUS Database
Myrcianthes fragransLOTUS Database
Myristica fragransFooDB
Myrrhis odorataLOTUS Database
Myrtus communisKNApSAcK Database
Narcissus tazettaLOTUS Database
Nasutitermes ephrataeLOTUS Database
Nasutitermes nigricepsLOTUS Database
Nelumbo luteaLOTUS Database
Nepeta crispaLOTUS Database
Nepeta nudaLOTUS Database
Nepeta racemosaLOTUS Database
Nigella sativa LKNApSAcK Database
Ocimum americanumLOTUS Database
Ocimum basilicumFooDB
Ocimum gratissimumLOTUS Database
Opuntia ficus-indicaLOTUS Database
Origanum acutidensLOTUS Database
Origanum adanenseLOTUS Database
Origanum cordifoliumLOTUS Database
Origanum dictamnusLOTUS Database
Origanum hypericifoliumLOTUS Database
Origanum laevigatumLOTUS Database
Origanum majoranaFooDB
Origanum majoricumLOTUS Database
Origanum minutiflorumLOTUS Database
Origanum onitesFooDB
Origanum ramonenseLOTUS Database
Origanum sipyleumLOTUS Database
Origanum syriacumLOTUS Database
Origanum vulgareFooDB
Osbornia octodontaLOTUS Database
Osmorhiza aristataLOTUS Database
Pastinaca sativaFooDB
Pelargonium citronellumLOTUS Database
Pelargonium quercifoliumLOTUS Database
Persea americanaLOTUS Database
Petasites albusKNApSAcK Database
Petroselinum crispumFooDB
Peucedanum oreoselinumLOTUS Database
Phagnalon sordidumKNApSAcK Database
Phaseolus vulgarisLOTUS Database
Phyllocladus trichomanoidesLOTUS Database
Picea abiesLOTUS Database
Picea glehniiLOTUS Database
Picea koraiensisLOTUS Database
Pimenta dioicaFooDB
Pimenta racemosaLOTUS Database
Pimpinella anisumLOTUS Database
Pimpinella serbicaLOTUS Database
PinusFooDB
Pinus brutiaLOTUS Database
Pinus cembraKNApSAcK Database
Pinus cembroidesLOTUS Database
Pinus densifloraLOTUS Database
Pinus flexilisLOTUS Database
Pinus halepensisKNApSAcK Database
Pinus heldreichiiLOTUS Database
Pinus longaevaLOTUS Database
Pinus merkusiiLOTUS Database
Pinus mugo subsp. MugoKNApSAcK Database
Pinus pumilaLOTUS Database
Pinus sibiricaKNApSAcK Database
Pinus sppKNApSAcK Database
Pinus spp.KNApSAcK Database
Pinus sylvestrisKNApSAcK Database
Piper aduncumLOTUS Database
Piper auritumLOTUS Database
Piper guineenseLOTUS Database
Piper marginatumLOTUS Database
Piper nigrumKNApSAcK Database
Piper nigrum L.FooDB
Piper sylvestreLOTUS Database
Pistacia integerrimaLOTUS Database
Pistacia veraLOTUS Database
Plectranthus marrubioidesKNApSAcK Database
Polygala senegaLOTUS Database
Porophyllum ruderaleLOTUS Database
Protium heptaphyllumLOTUS Database
Psidium salutareLOTUS Database
Quercus ilexLOTUS Database
Renealmia floribundaLOTUS Database
Rhodiola roseaPlant
Rhodiola rosea L.KNApSAcK Database
Rhododendron mucronulatumLOTUS Database
Rosmarinus officinalisKNApSAcK Database
Salvia absconditifloraLOTUS Database
Salvia caespitosaLOTUS Database
Salvia dorisianaLOTUS Database
Salvia fruticosaLOTUS Database
Salvia hydrangeaLOTUS Database
Salvia munziiLOTUS Database
Salvia officinalisFooDB
Salvia rosmarinusFooDB
Salvia sclareaLOTUS Database
Salvia syriacaLOTUS Database
Santolina chamaecyparissusLOTUS Database
Santolina corsica Jordan et FourrKNApSAcK Database
Santolina insularisLOTUS Database
Satureja bachtiaricaLOTUS Database
Satureja cuneifoliaLOTUS Database
Satureja hortensis L.FooDB
Satureja montanaFooDB
Satureja spicigeraLOTUS Database
Satureja subspicataKNApSAcK Database
Satureja thymbraKNApSAcK Database
Scalesia asperaLOTUS Database
Schinus molleLOTUS Database
Sequoia sempervirensLOTUS Database
Sequoiadendron giganteumLOTUS Database
Seseli farrenyiLOTUS Database
Sideritis leucanthaLOTUS Database
Sideritis perfoliataLOTUS Database
Sideritis romanaLOTUS Database
Sideritis tragoriganumLOTUS Database
Solidago canadensisLOTUS Database
Solidago odoraLOTUS Database
Stachys glutinosaLOTUS Database
Steganotaenia araliaceaLOTUS Database
Stevia rebaudianaLOTUS Database
Stoebe vulgarisLOTUS Database
Syzygium cuminiLOTUS Database
Syzygium samarangenseLOTUS Database
Tagetes minutaLOTUS Database
Tanacetum macrophyllumKNApSAcK Database
Tanacetum partheniumLOTUS Database
Tanacetum vulgareKNApSAcK Database
Tarchonanthus camphoratusKNApSAcK Database
Tetradenia ripariaKNApSAcK Database
Teucrium kotschyanumLOTUS Database
Teucrium leucocladumLOTUS Database
Teucrium montanumLOTUS Database
Teucrium poliumLOTUS Database
Teucrium salviastrumLOTUS Database
Thapsia maximaLOTUS Database
Thuja occidentalisLOTUS Database
Thuja plicataLOTUS Database
Thymbra capitataLOTUS Database
Thymbra spicataLOTUS Database
Thymus broussonetiiLOTUS Database
Thymus broussonettiPlant
Thymus capitatusKNApSAcK Database
Thymus caramanicusPlant
Thymus citriodorusLOTUS Database
Thymus eigiiLOTUS Database
Thymus fedtschenkoiLOTUS Database
Thymus kotschyanusLOTUS Database
Thymus longicaulisLOTUS Database
Thymus maroccanusPlant
Thymus piperellaKNApSAcK Database
Thymus praecosPlant
Thymus pubescensLOTUS Database
Thymus pulegioidesLOTUS Database
Thymus revolutusLOTUS Database
Thymus satureioidesLOTUS Database
Thymus sibthorpiiLOTUS Database
Thymus vulgarisKNApSAcK Database
Thymus zygioidesLOTUS Database
Tithonia diversifoliaLOTUS Database
Trachyspermum ammiLOTUS Database
Trachyspermum anethifoliumLOTUS Database
Trachyspermum roxburghianumLOTUS Database
Trichostema dichotomumLOTUS Database
Turnera diffusaPlant
Umbellularia californicaLOTUS Database
Valeriana officinalisLOTUS Database
Virola surinamensisLOTUS Database
Vitex agnus-castusLOTUS Database
Vitex negundoLOTUS Database
VitisFooDB
Vitis rotundifoliaLOTUS Database
Xenophyllum poposumLOTUS Database
Xylopia aethiopicaKNApSAcK Database
Xylopia aromaticaLOTUS Database
Zanthoxylum armatumKNApSAcK Database
Zanthoxylum chalybeumLOTUS Database
Zanthoxylum simulansLOTUS Database
Zanthoxylum zanthoxyloidesLOTUS Database
Zataria multifloraLOTUS Database
Zieria pilosaLOTUS Database
Zingiber cassumunar Roxb.KNApSAcK Database
Zingiber montanumPlant
Zingiber officinaleFooDB
Zingiber spectabile Griff.KNApSAcK Database
Zingiber zerumbetLOTUS Database
Chemical Taxonomy
Description Belongs to the class of organic compounds known as branched unsaturated hydrocarbons. These are hydrocarbons that contains one or more unsaturated carbon atoms, and an aliphatic branch.
KingdomOrganic compounds
Super ClassHydrocarbons
ClassUnsaturated hydrocarbons
Sub ClassBranched unsaturated hydrocarbons
Direct ParentBranched unsaturated hydrocarbons
Alternative Parents
Substituents
  • Branched unsaturated hydrocarbon
  • Cyclic olefin
  • Unsaturated aliphatic hydrocarbon
  • Olefin
  • Aliphatic homomonocyclic compound
Molecular FrameworkAliphatic homomonocyclic compounds
External Descriptors
Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting Point-10 °CNot Available
Boiling Point181.00 to 183.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility0.0087 mg/mL at 22 °CNot Available
LogP4.50Li, J., Perdue, E.M. (1995) Physicochemical properties of selected monoterpenes. Pre-print Extended Abstract, Presented Before The Division of Environmental Chemistry, Amer Chem Soc, Anaheim, Ca: April 2-7
Predicted Properties
PropertyValueSource
Water Solubility0.54 g/LALOGPS
logP4.36ALOGPS
logP3.16ChemAxon
logS-2.4ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count1ChemAxon
Refractivity47.55 m³·mol⁻¹ChemAxon
Polarizability17.61 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0005806
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB015968
KNApSAcK IDC00003061
Chemspider ID7181
KEGG Compound IDC09900
BioCyc IDCPD-8736
BiGG IDNot Available
Wikipedia LinkTerpinene
METLIN IDNot Available
PubChem Compound7461
PDB IDNot Available
ChEBI ID10577
Good Scents IDrw1017031
References
General References
  1. Garner CE, Smith S, de Lacy Costello B, White P, Spencer R, Probert CS, Ratcliffe NM: Volatile organic compounds from feces and their potential for diagnosis of gastrointestinal disease. FASEB J. 2007 Jun;21(8):1675-88. Epub 2007 Feb 21. [PubMed:17314143 ]
  2. de Lacy Costello B, Amann A, Al-Kateb H, Flynn C, Filipiak W, Khalid T, Osborne D, Ratcliffe NM: A review of the volatiles from the healthy human body. J Breath Res. 2014 Mar;8(1):014001. doi: 10.1088/1752-7155/8/1/014001. Epub 2014 Jan 13. [PubMed:24421258 ]
  3. Silva CL, Passos M, Camara JS: Solid phase microextraction, mass spectrometry and metabolomic approaches for detection of potential urinary cancer biomarkers--a powerful strategy for breast cancer diagnosis. Talanta. 2012 Jan 30;89:360-8. doi: 10.1016/j.talanta.2011.12.041. Epub 2011 Dec 22. [PubMed:22284503 ]
  4. Foti MC, Ingold KU: Mechanism of inhibition of lipid peroxidation by gamma-terpinene, an unusual and potentially useful hydrocarbon antioxidant. J Agric Food Chem. 2003 Apr 23;51(9):2758-65. doi: 10.1021/jf020993f. [PubMed:12696969 ]
  5. Hamdan D, Ashour ML, Mulyaningsih S, El-Shazly A, Wink M: Chemical composition of the essential oils of variegated pink-fleshed lemon (Citrus x limon L. Burm. f.) and their anti-inflammatory and antimicrobial activities. Z Naturforsch C J Biosci. 2013 Jul-Aug;68(7-8):275-84. [PubMed:24066512 ]