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Showing NP-Card for trans-Ocimen (NP0001466)

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Record Information
Version1.0
Created at2012-09-11 17:34:41 UTC
Updated at2021-08-19 23:59:09 UTC
NP-MRD IDNP0001466
Secondary Accession NumbersNone
Natural Product Identification
Common Nametrans-Ocimen
DescriptionTrans-Ocimene is found in allspice. Trans-Ocimene is a constituent of the pheromones of Anastrepha suspensa, Euploea tulliolus koxinga, and Labidus species (CCD). Ocimene refers to several isomeric hydrocarbons. The ocimenes are monoterpenes found within a variety of plants and fruits. Alpha-Ocimene and the two beta-ocimenes differ in the position of the isolated double bond: It is terminal in the alpha-isomer. Alpha-Ocimene is 3,7-dimethyl-1,3,7-octatriene. Beta-Ocimene is 3,7-dimethyl-1,3,6-octatriene. Beta-Ocimene exists in two stereoisomeric forms, cis and trans, with respect to the central double bond. The ocimenes are often found naturally as mixtures of the various forms. The mixture (as well as the pure compounds) is an oil with a pleasant odour and it is used in perfumery.
Structure
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MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for NP0001466 (trans-Ocimen)


  Mrv1652309272007382D          

 10  9  0  0  0  0            999 V2000
    1.2444   -3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9588   -2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6732   -3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3878   -2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1022   -3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5312   -3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2457   -2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9588   -2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  6  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
Download

3D MOL for NP0001466 (trans-Ocimen)

HMDB0030089
     RDKit          3D
trans-Ocimene
 26 25  0  0  0  0  0  0  0  0999 V2000
    3.9207    0.6020   -1.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    0.8345   -0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9340    0.0219    0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -1.1606   -0.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1434    0.3123    1.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0613   -0.4535    1.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2534    0.4231    1.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3114    0.2066    0.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3594   -0.9794   -0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4755    1.1673    0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8637   -0.1931   -1.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7849    1.2677   -1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030    1.6977    0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5874   -0.9439   -1.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3213   -1.4054   -1.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4757   -2.0744   -0.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4218    1.1850    1.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950   -1.3184    0.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0016   -0.8558    2.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729    1.3153    2.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0622   -1.9177    0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032   -0.8090   -1.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4318   -1.0977   -0.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3632    0.5887    0.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5860    1.6176   -0.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2503    1.9695    1.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 10 26  1  0
M  END
Download

3D SDF for NP0001466 (trans-Ocimen)


  Mrv1652309272007382D          

 10  9  0  0  0  0            999 V2000
    1.2444   -3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9588   -2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6732   -3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3878   -2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1022   -3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5312   -3.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2457   -2.9561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8167   -2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9588   -2.1311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  6  9  1  0  0  0  0
  2 10  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0001466

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CC\C=C(/C)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+

> <INCHI_KEY>
IHPKGUQCSIINRJ-CSKARUKUSA-N

> <FORMULA>
C10H16

> <MOLECULAR_WEIGHT>
136.234

> <EXACT_MASS>
136.125200512

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
26

> <JCHEM_AVERAGE_POLARIZABILITY>
17.21629678600678

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3E)-3,7-dimethylocta-1,3,6-triene

> <ALOGPS_LOGP>
4.30

> <JCHEM_LOGP>
3.479166466333333

> <ALOGPS_LOGS>
-2.91

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
49.451499999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.67e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
β-ocimene

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for NP0001466 (trans-Ocimen)

HMDB0030089
     RDKit          3D
trans-Ocimene
 26 25  0  0  0  0  0  0  0  0999 V2000
    3.9207    0.6020   -1.2628 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1062    0.8345   -0.2763 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9340    0.0219    0.0235 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5650   -1.1606   -0.7822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1434    0.3123    1.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0613   -0.4535    1.4189 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2534    0.4231    1.3714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3114    0.2066    0.5974 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3594   -0.9794   -0.3029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4755    1.1673    0.6264 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8637   -0.1931   -1.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7849    1.2677   -1.4188 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3030    1.6977    0.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5874   -0.9439   -1.2767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3213   -1.4054   -1.5461 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4757   -2.0744   -0.1385 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4218    1.1850    1.6356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1950   -1.3184    0.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0016   -0.8558    2.4561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2729    1.3153    2.0166 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0622   -1.9177    0.2107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8032   -0.8090   -1.2531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4318   -1.0977   -0.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3632    0.5887    0.9361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5860    1.6176   -0.3813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2503    1.9695    1.3371 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  1  0
  3  5  2  0
  5  6  1  0
  6  7  1  0
  7  8  2  3
  8  9  1  0
  8 10  1  0
  1 11  1  0
  1 12  1  0
  2 13  1  0
  4 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  6 18  1  0
  6 19  1  0
  7 20  1  0
  9 21  1  0
  9 22  1  0
  9 23  1  0
 10 24  1  0
 10 25  1  0
 10 26  1  0
M  END
Download

PDB for NP0001466 (trans-Ocimen)

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       2.323  -6.288   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.656  -5.518   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       4.990  -6.288   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       6.324  -5.518   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       7.657  -6.288   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       8.991  -5.518   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.325  -6.288   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      11.659  -5.518   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.991  -3.978   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.656  -3.978   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   10                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    9                                                  
CONECT    7    6    8                                                       
CONECT    8    7                                                            
CONECT    9    6                                                            
CONECT   10    2                                                            
MASTER        0    0    0    0    0    0    0    0   10    0   18    0
END
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3D PDB for NP0001466 (trans-Ocimen)

COMPND    HMDB0030089
HETATM    1  C1  UNL     1       3.921   0.602  -1.263  1.00  0.00           C  
HETATM    2  C2  UNL     1       3.106   0.835  -0.276  1.00  0.00           C  
HETATM    3  C3  UNL     1       1.934   0.022   0.024  1.00  0.00           C  
HETATM    4  C4  UNL     1       1.565  -1.161  -0.782  1.00  0.00           C  
HETATM    5  C5  UNL     1       1.143   0.312   1.044  1.00  0.00           C  
HETATM    6  C6  UNL     1      -0.061  -0.454   1.419  1.00  0.00           C  
HETATM    7  C7  UNL     1      -1.253   0.423   1.371  1.00  0.00           C  
HETATM    8  C8  UNL     1      -2.311   0.207   0.597  1.00  0.00           C  
HETATM    9  C9  UNL     1      -2.359  -0.979  -0.303  1.00  0.00           C  
HETATM   10  C10 UNL     1      -3.476   1.167   0.626  1.00  0.00           C  
HETATM   11  H1  UNL     1       3.864  -0.193  -1.986  1.00  0.00           H  
HETATM   12  H2  UNL     1       4.785   1.268  -1.419  1.00  0.00           H  
HETATM   13  H3  UNL     1       3.303   1.698   0.383  1.00  0.00           H  
HETATM   14  H4  UNL     1       0.587  -0.944  -1.277  1.00  0.00           H  
HETATM   15  H5  UNL     1       2.321  -1.405  -1.546  1.00  0.00           H  
HETATM   16  H6  UNL     1       1.476  -2.074  -0.139  1.00  0.00           H  
HETATM   17  H7  UNL     1       1.422   1.185   1.636  1.00  0.00           H  
HETATM   18  H8  UNL     1      -0.195  -1.318   0.740  1.00  0.00           H  
HETATM   19  H9  UNL     1      -0.002  -0.856   2.456  1.00  0.00           H  
HETATM   20  H10 UNL     1      -1.273   1.315   2.017  1.00  0.00           H  
HETATM   21  H11 UNL     1      -2.062  -1.918   0.211  1.00  0.00           H  
HETATM   22  H12 UNL     1      -1.803  -0.809  -1.253  1.00  0.00           H  
HETATM   23  H13 UNL     1      -3.432  -1.098  -0.635  1.00  0.00           H  
HETATM   24  H14 UNL     1      -4.363   0.589   0.936  1.00  0.00           H  
HETATM   25  H15 UNL     1      -3.586   1.618  -0.381  1.00  0.00           H  
HETATM   26  H16 UNL     1      -3.250   1.969   1.337  1.00  0.00           H  
CONECT    1    2    2   11   12
CONECT    2    3   13
CONECT    3    4    5    5
CONECT    4   14   15   16
CONECT    5    6   17
CONECT    6    7   18   19
CONECT    7    8    8   20
CONECT    8    9   10
CONECT    9   21   22   23
CONECT   10   24   25   26
END
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SMILES for NP0001466 (trans-Ocimen)

CC(C)=CC\C=C(/C)C=C
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INCHI for NP0001466 (trans-Ocimen)

InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
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View in JSmolView NMR Assignments
Synonyms
ValueSource
(e)-3,7-Dimethylocta-1,3,6-trieneChEBI
3,7-Dimethyl-1,3E,6-octatrieneChEBI
trans-3,7-Dimethylocta-1,3,6-trieneChEBI
trans-beta-OcimeneChEBI
beta-OcimeneKegg
trans-b-OcimeneGenerator
trans-Β-ocimeneGenerator
b-OcimeneGenerator
Β-ocimeneGenerator
(3E)-3,7-Dimethyl-1,3,6-octatrieneHMDB
(3E)-3,7-Dimethylocta-1,3,6-trieneHMDB
(e)-3,7-DimethyloctatrieneHMDB
(e)-beta -OcimeneHMDB
(e)-beta-OcimeneHMDB
(e)-OcimeneHMDB
3,7-Dimethyl-(e)-1,3,6-octatrieneHMDB
3,7-Dimethyl-(e)-octatrieneHMDB
beta -(e)-OcimeneHMDB
beta -trans-OcimeneHMDB
beta-trans-OcimeneHMDB
e-3,7-Dimethyl-1,3,6-octatrieneHMDB
e-beta-OcimeneHMDB
trans-3,7-Dimethyl-1,3,6-octatrieneHMDB
trans-beta -OcimeneHMDB
(e)-b-OcimeneHMDB
(e)-Β-ocimeneHMDB
(3E)-OcimeneHMDB
(e)-3,7-Dimethyl-1,3,6-octatrieneHMDB
beta-(e)-OcimeneHMDB
Β-(e)-ocimeneHMDB
Β-trans-ocimeneHMDB
3,7-Dimethyl-1,3,6-octatrieneHMDB
trans-OcimeneHMDB
Chemical FormulaC10H16
Average Mass136.2340 Da
Monoisotopic Mass136.12520 Da
IUPAC Name(3E)-3,7-dimethylocta-1,3,6-triene
Traditional Nameβ-ocimene
CAS Registry Number3779-61-1
SMILES
CC(C)=CC\C=C(/C)C=C
InChI Identifier
InChI=1S/C10H16/c1-5-10(4)8-6-7-9(2)3/h5,7-8H,1,6H2,2-4H3/b10-8+
InChI KeyIHPKGUQCSIINRJ-CSKARUKUSA-N
Experimental Spectra
Spectrum TypeDescriptionDepositor EmailDepositor OrganizationDepositorDeposition DateView
Predicted Spectra
Spectrum TypeDescriptionDepositor IDDepositor OrganizationDepositorDeposition DateView
1D NMR13C NMR Spectrum (1D, 25 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 100 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 NMR1H NMR Spectrum (1D, 1000 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 200 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 NMR1H NMR Spectrum (1D, 300 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 NMR1H NMR Spectrum (1D, 400 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 500 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 NMR1H NMR Spectrum (1D, 600 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 NMR1H NMR Spectrum (1D, 700 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
1D NMR1H NMR Spectrum (1D, 800 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
1D NMR1H NMR Spectrum (1D, 900 MHz, D2O, predicted)Wishart LabWishart LabDavid Wishart2021-06-20View Spectrum
Chemical Shift Submissions
Not Available
Species
Species of Origin
Species NameSourceReference
Abelmoschus esculentusFooDB
Acca sellowianaLOTUS Database
Achillea grandifoliaLOTUS Database
Acorus calanus L.Plant
Actinidia chinensisFooDB
Actinodium cunninghamiiLOTUS Database
Aframomum meleguetaLOTUS Database
African marigoldLOTUS Database
Agaricus bisporusFooDB
Agastache foeniculumLOTUS Database
Agathosma betulinaLOTUS Database
AgaveFooDB
Ageratum conyzoidesLOTUS Database
Allium ampeloprasumFooDB
Allium ascalonicumFooDB
Allium cepaFooDB
Allium cepa L.FooDB
Allium fistulosumFooDB
Allium sativumFooDB
Allium schoenoprasumFooDB
Allium tuberosumFooDB
Aloysia triphyllaFooDB
Alphinia galanga-
Alpinia latilabrisLOTUS Database
Alpinia zerumbetLOTUS Database
AmaranthusFooDB
Ambrosia artemisiifoliaPlant
Ambrosia trifidaPlant
Amelanchier alnifoliaFooDB
Amorphophallus margaritiferLOTUS Database
Anacardium occidentalePlant
Ananas comosusFooDB
Anethum foeniculumPlant
Anethum graveolensFooDB
Angelica archangelicaLOTUS Database
Angelica keiskeiFooDB
Annona atemoyaLOTUS Database
Annona cherimolaFooDB
Annona muricataFooDB
Annona reticulataFooDB
Annona squamosaFooDB
Anthemis aciphyllaLOTUS Database
Anthemis aciphylla BOISS.var.discoidea BOISSPlant
Anthriscus cerefoliumFooDB
Apium graveolensFooDB
Apium graveolens var. dulceFooDB
    • Glesni MacLeod and Jennifer M. Ames. Volatile components of celery and celeriac. Phytochemistry. ...
Apium graveolens var. rapaceumFooDB
    • Glesni MacLeod and Jennifer M. Ames. Volatile components of celery and celeriac. Phytochemistry. ...
Apium graveolens var. secalinumFooDB
Arabidopsis thalianaPlant
Arachis hypogaeaFooDB
Arctium lappaFooDB
Aristolochia trilobataPlant
Armoracia rusticanaFooDB
Artemisia absinthiumLOTUS Database
Artemisia annuaPlant
Artemisia dracunculusFooDB
Artemisia lagocephalaLOTUS Database
Artemisia rubripesLOTUS Database
Artemisia vulgarisFooDB
Artocarpus altilisFooDB
Artocarpus heterophyllusFooDB
Asarum faurieiLOTUS Database
Asparagus officinalisFooDB
Aster scaberLOTUS Database
Athamanta macedonicaLOTUS Database
Attalea speciosaFooDB
Auricularia auricula-judaeFooDB
Auricularia polytrichaFooDB
Austrobaileya scandensLOTUS Database
Avena sativaLOTUS Database
Avena sativa L.FooDB
Averrhoa carambolaFooDB
Azadirachta indicaLOTUS Database
Baccharis articulataLOTUS Database
Basella albaFooDB
Bellis perennisLOTUS Database
Benincasa hispidaFooDB
Bertholletia excelsaFooDB
Beta vulgarisPlant
Beta vulgaris ssp. ciclaFooDB
Borago officinalisFooDB
Boswellia sacraLOTUS Database
Brassica alboglabraFooDB
Brassica junceaFooDB
Brassica napusFooDB
Brassica napus var. napusFooDB
Brassica oleraceaFooDB
Brassica oleracea var. botrytisFooDB
Brassica oleracea var. capitataFooDB
Brassica oleracea var. gemmiferaFooDB
Brassica oleracea var. gongylodesFooDB
Brassica oleracea var. italicaFooDB
Brassica oleracea var. sabaudaFooDB
Brassica oleracea var. viridisFooDB
Brassica rapaFooDB
Brassica rapa ssp. chinensisFooDB
Brassica rapa var. pekinensisFooDB
Brassica rapa var. rapaFooDB
Brassica ruvoFooDB
Brosimum alicastrumFooDB
Bupleurum fruticosumLOTUS Database
Byrsonima crassifoliaFooDB
Cajanus cajanFooDB
Calamintha nepetaPlant
Calamintha nepeta subsp. glandulosaPlant
Callistemon linearisLOTUS Database
Canarium ovatumFooDB
Canella winteranaLOTUS Database
Cannabis sativaCannabisDB
      Not Available
Cantharellus cibariusFooDB
Cantinoa americanaLOTUS Database
Capparis spinosaFooDB
Capsicum annuumFooDB
Capsicum annuum L.FooDB
Capsicum annuum var. annuumFooDB
Capsicum chinenseFooDB
Capsicum pubescensFooDB
Carica papaya L.FooDB
Carissa macrocarpaFooDB
Carthamus tinctoriusFooDB
Carum carviFooDB
CaryaFooDB
Carya illinoinensisFooDB
CastaneaFooDB
Castanea crenataFooDB
Castanea mollissimaFooDB
Castanea sativaFooDB
Catha edulisLOTUS Database
Centaurea atropurpureaPlant
Centaurea orientalisPlant
Centaurea solstitialisLOTUS Database
Cephaelis ipecacuanhaLOTUS Database
Ceratonia siliquaFooDB
Chaerophyllum macrospermumLOTUS Database
Chamaecyparis pisiferaLOTUS Database
Chamaemelum nobileFooDB
Chamerion angustifoliumFooDB
Chenopodium albumFooDB
Chenopodium quinoaFooDB
Chimonanthus praecoxLOTUS Database
Chromolaena odorataLOTUS Database
Chrysanthemum coronariumFooDB
Cicer arietinumFooDB
Cichorium endiviaFooDB
Cichorium intybusFooDB
CinnamomumFooDB
Cinnamomum aromaticumFooDB
Cinnamomum camphoraPlant
Cinnamomum verumFooDB
CirsiumFooDB
Citrullus lanatusFooDB
Citrus ×limon (L.) Burm. f. (pro sp.)FooDB
Citrus aurantiifoliaFooDB
Citrus aurantiumKNApSAcK Database
Citrus deliciosaPlant
Citrus junosLOTUS Database
Citrus latifoliaPlant
Citrus limettioidesPlant
Citrus limonFooDB
Citrus maximaFooDB
Citrus medicaLOTUS Database
Citrus natsudaidaiLOTUS Database
Citrus paradise x Poncirus trifoliataPlant
Citrus paradisiPlant
Citrus reticulataFooDB
Citrus reticulate x Citrus sinensisPlant
Citrus sinensis L.Plant
Citrus sinki x Poncirus trifoliataPlant
Citrus trifoliataPlant
Citrus wilsoniiLOTUS Database
Citrus X sinensis (L.) Osbeck (pro. sp.)FooDB
Cleistopholis patensLOTUS Database
Clinopodium carolinianumLOTUS Database
Clinopodium serpyllifoliumLOTUS Database
Cocos nuciferaFooDB
Coffea arabica L.FooDB
Coffea canephoraFooDB
Colocasia esculentaFooDB
Commiphora gurrehLOTUS Database
Conyza sumatrensisLOTUS Database
Corchorus olitoriusFooDB
Coriandrum sativumLOTUS Database
Coriandrum sativum L.FooDB
CorylusFooDB
Corylus avellanaFooDB
Corymbia torellianaLOTUS Database
Crateva religiosaFooDB
Crocus sativusFooDB
Cucumis meloFooDB
Cucumis metuliferusFooDB
Cucumis sativus L.FooDB
    • Ancheng Zhou and Roger F. McFeeters. Volatile Compounds in Cucumbers Fermented in Low-Salt Condit...
CucurbitaFooDB
Cucurbita maximaFooDB
Cucurbita moschataFooDB
Cuminum cyminumFooDB
Curcuma amanda RoxbPlant
Curcuma longaFooDB
Curcuma manggaPlant
Curcuma xanthorrhizaPlant
Curio articulatusLOTUS Database
Cydonia oblongaFooDB
Cymbopogon citratusKNApSAcK Database
Cymbopogon nardusLOTUS Database
Cynara cardunculusFooDB
Cynara scolymusFooDB
Daphne mezereumLOTUS Database
Daphne odoraLOTUS Database
Daucus carotaFooDB
Daucus carota ssp. sativusFooDB
Dicyclophora persica-
Dimocarpus longanFooDB
DioscoreaFooDB
Dioscorea pentaphyllaFooDB
DiospyrosFooDB
Diospyros kakiFooDB
Diospyros virginianaFooDB
Diplotaenia cachrydifoliaLOTUS Database
Duguetia confinisLOTUS Database
Durio zibethinusFooDB
Dysphania ambrosioidesFooDB
Echinophora tenuifoliaLOTUS Database
ElaeisFooDB
Eleocharis dulcisFooDB
Elettaria cardamomumFooDB
Elsholtzia blandaLOTUS Database
Elsholtzia ciliataLOTUS Database
Elsholtzia pilosaLOTUS Database
Empetrum nigrumFooDB
Eragrostis tefFooDB
Erigeron canadensisLOTUS Database
Eriobotrya japonicaFooDB
Eruca vesicaria subsp. SativaFooDB
Eucalyptus brassianaLOTUS Database
Eucalyptus bridgesianaLOTUS Database
Eucalyptus cloezianaLOTUS Database
Eucalyptus delegatensisLOTUS Database
Eucalyptus globulusLOTUS Database
Eucalyptus leucoxylonLOTUS Database
Eucalyptus radiataLOTUS Database
Eucalyptus stoateiLOTUS Database
Eugenia javanicaFooDB
Eugenia unifloraFooDB
Eupatorium capillifoliumLOTUS Database
Eutrema japonicumFooDB
Evodia rutaecarpaKNApSAcK Database
Fagopyrum esculentumFooDB
Fagopyrum tataricumFooDB
FagusFooDB
Feijoa sellowianaPlant
Ferula assa-foetidaLOTUS Database
Ferulago nodosaLOTUS Database
Ficus caricaFooDB
Flammulina velutipesFooDB
Foeniculum vulgareFooDB
Fortunella margaritaPlant
Fragaria x ananassaFooDB
Garcinia mangostanaFooDB
Gaylussacia baccataFooDB
Ginkgo bilobaFooDB
Glycine maxFooDB
GossypiumFooDB
Gossypium hirsutumLOTUS Database
Grifola frondosaFooDB
Grindelia pulchellaLOTUS Database
Hedychium coronariumLOTUS Database
Hedyosmum mexicanumLOTUS Database
Hedysarum alpinumFooDB
Helianthus annuus L.FooDB
Helianthus tuberosusFooDB
Helichrysum amorginumLOTUS Database
Helichrysum odoratissimumLOTUS Database
Heracleum dissectumLOTUS Database
Heracleum persicumLOTUS Database
Hesperis matronalisKNApSAcK Database
Heterotheca subaxillarisLOTUS Database
Hibiscus sabbariffaFooDB
Hippophae rhamnoidesFooDB
Hordeum vulgareFooDB
Houttuynia cordataKNApSAcK Database
Houttuynia emeiensisKNApSAcK Database
Humulus lupulusPlant
Hymenocrater incanusLOTUS Database
Hypericum hyssopifoliumLOTUS Database
Hyssopus officinalis L.FooDB
Illicium verumFooDB
Ipomoea aquaticaFooDB
Ipomoea batatasFooDB
JuglansFooDB
Juglans ailanthifoliaFooDB
Juglans cinereaFooDB
Juglans nigra L.FooDB
Juglans regiaFooDB
Juniperus durangensisLOTUS Database
Juniperus monticolaLOTUS Database
Kippistia suaedifoliaLOTUS Database
Lablab purpureusFooDB
Lactuca sativaFooDB
Lagenaria sicerariaFooDB
Lallemantia peltataLOTUS Database
Lantana xenicaLOTUS Database
Lathyrus sativusFooDB
Laurus nobilis L.FooDB
Lavandin abrialis-
Lavandula angustifoliaPlant
Lavandula canarien-sisPlant
Lavandula dentataPlant
Lavandula gibsoniPlant
Lavandula latifoliaLOTUS Database
Lavandula multifidaPlant
Lavandula stoechasPlant
Lens culinarisFooDB
Lentinus edodesFooDB
Leonotis leonurusLOTUS Database
Lepidium sativumFooDB
Leptospermum scopariumPlant
Levisticum officinaleFooDB
Linum usitatissimumFooDB
Liquidambar styracifluaLOTUS Database
Litchi chinensisFooDB
Litsea cubebaKNApSAcK Database
Litsea glutinosaPlant
Luffa aegyptiacaFooDB
LupinusFooDB
Lupinus albusFooDB
MacadamiaFooDB
Macadamia tetraphyllaFooDB
Malpighia emarginataFooDB
MalusFooDB
Malus pumilaFooDB
Mammea americanaFooDB
Mangifera indicaPlant
Manihot esculentaFooDB
Manilkara zapotaFooDB
Maranta arundinaceaFooDB
Matricaria chamomillaLOTUS Database
Matricaria recutitaFooDB
Matteuccia struthiopterisFooDB
Medicago sativaFooDB
Melaleuca leucadendra L.Plant
Melissa officinalisLOTUS Database
Melissa officinalis L.FooDB
MenthaFooDB
Mentha aquaticaFooDB
Mentha arvensisFooDB
Mentha piperitaLOTUS Database
Mentha rotundifoliaLOTUS Database
Mentha spicataFooDB
Mentha verticillataLOTUS Database
Mentha x piperitaFooDB
Mespilus germanicaFooDB
Metroxylon saguFooDB
Micromeria bifloraLOTUS Database
Micromeria myrtifoliaLOTUS Database
Micromeria sinaicaLOTUS Database
Mikania cordifoliaLOTUS Database
Minthostachys andinaLOTUS Database
Minthostachys mollisLOTUS Database
Momordica charantiaFooDB
Monarda fistulosaLOTUS Database
Monodora myristicaPlant
Montanoa tomentosaLOTUS Database
MorchellaceaeFooDB
Morella rubraFooDB
Moringa oleiferaFooDB
MorusFooDB
Morus nigraFooDB
Mosla chinensisLOTUS Database
Musa acuminataFooDB
Musa x paradisiacaFooDB
MyricaFooDB
Myristica fragransFooDB
Myrtus communisLOTUS Database
NelumboFooDB
Nelumbo luteaLOTUS Database
Nelumbo nuciferaFooDB
Nepeta glomerulosaLOTUS Database
Nepeta nepetellaLOTUS Database
Nepeta nudaLOTUS Database
Nephelium lappaceumFooDB
Nicotiana alataPlant
Nicotiana bonariensisPlant
Nicotiana langsdorffiiPlant
Nicotiana mutabilisPlant
Nuphar luteaFooDB
Ocimum americanumPlant
Ocimum basilicumKNApSAcK Database
Ocimum campechianumLOTUS Database
Ocimum gratissimumKNApSAcK Database
Ocimum kilimandscharicimPlant
Ocimum tenuiflorumPlant
Oenothera biennisFooDB
Olea europaeaFooDB
OpuntiaFooDB
Opuntia cochenilliferaFooDB
Opuntia macrorhizaFooDB
Origanum laevigatumLOTUS Database
Origanum majoranaFooDB
Origanum minutiflorumLOTUS Database
Origanum onitesFooDB
Origanum sipyleumLOTUS Database
Origanum vulgareFooDB
Origanum X majoricumFooDB
Oryza rufipogonFooDB
Oryza sativaFooDB
Osbornia octodontaLOTUS Database
Osmorhiza aristataLOTUS Database
Pachyrhizus erosusFooDB
Panax ginsengFooDB
Pandanus tectoriusLOTUS Database
Pangium eduleFooDB
Panicum miliaceumFooDB
Parthenium argentatumLOTUS Database
Parthenium confertumLOTUS Database
Passiflora edulisFooDB
Pastinaca sativaFooDB
Pediomelum esculentumFooDB
Pelargonium citronellumLOTUS Database
Pelargonium endlicherianumLOTUS Database
Pelargonium graveolensLOTUS Database
Pelargonium quercifoliumLOTUS Database
Pelargonium vitifoliumLOTUS Database
Perideridia oreganaFooDB
Perilla frutescensLOTUS Database
Persea americanaFooDB
Persicaria minorLOTUS Database
Petasites hybridusKNApSAcK Database
Petasites japonicusFooDB
Petroselinum crispumFooDB
Peucedanum paniculatum L.Plant
Phagnalon sordidumPlant
Phaseolus coccineusFooDB
Phaseolus lunatusFooDB
Phaseolus vulgarisFooDB
Phlomis lanataLOTUS Database
Phoenix dactyliferaFooDB
Photinia melanocarpaFooDB
Phyllostachys edulisFooDB
PhysalisFooDB
Physalis philadelphica var. immaculataFooDB
Phytolacca americanaFooDB
Picea abiesLOTUS Database
Pimenta acrisPlant
Pimenta dioicaFooDB
Pimenta racemosaLOTUS Database
Pimpinella anisumFooDB
PinusFooDB
Pinus edulisFooDB
Pinus flexilisLOTUS Database
Pinus halepensisKNApSAcK Database
Pinus heldreichiiLOTUS Database
Pinus mugo subsp. MugoPlant
Pinus sylvestrisPlant
Piper aduncumLOTUS Database
Piper arboreumPlant
Piper auritumLOTUS Database
Piper cernuumLOTUS Database
Piper fimbriulatumPlant
Piper gaudichaudianumLOTUS Database
Piper marginatumLOTUS Database
Piper nigrum L.Plant
Pistacia integerrimaLOTUS Database
Pistacia veraFooDB
Pisum sativumFooDB
Pleurotus ostreatusFooDB
Plumeria rubraLOTUS Database
Polygonum alpinumFooDB
Polygonum minusPlant
Poncirus trifoliate x Citrus sinensisPlant
Popillia japonicaLOTUS Database
Porophyllum ruderaleLOTUS Database
Portulaca oleraceaFooDB
Pouteria sapotaFooDB
Prangos uechtritziiLOTUS Database
Prangos ulopteraLOTUS Database
Protium heptaphyllumLOTUS Database
Prunus armeniacaFooDB
Prunus aviumFooDB
Prunus avium L.FooDB
Prunus cerasusFooDB
Prunus domesticaFooDB
Prunus dulcisFooDB
Prunus persicaFooDB
Prunus persica var. nucipersicaFooDB
Prunus persica var. persicaFooDB
Prunus tomentosaFooDB
Prunus virginianaFooDB
Pseudotsuga menziesiiLOTUS Database
Psiadia altissimaLOTUS Database
Psidium cattleianumFooDB
Psidium guajavaFooDB
Psidium salutareLOTUS Database
Psophocarpus tetragonolobusFooDB
Punica granatumFooDB
Pyrus communisFooDB
Pyrus pyrifoliaFooDB
QuercusFooDB
Quercus ilexLOTUS Database
Raphanus sativusFooDB
Raphanus sativus var. longipinnatusFooDB
Raphanus sativus var. sativusFooDB
Rheum rhabarbarumFooDB
Rhodiola roseaPlant
Ribes aureumFooDB
Ribes glandulosumFooDB
Ribes nigrumFooDB
Ribes rubrumFooDB
Ribes uva-crispaFooDB
RosaFooDB
Rubus arcticusFooDB
Rubus chamaemorusFooDB
Rubus idaeusFooDB
Rubus occidentalisFooDB
Rubus spectabilisFooDB
RumexFooDB
Rumex acetosaFooDB
Rumex articusFooDB
Sagittaria latifoliaFooDB
Salix pulchraFooDB
Salvia absconditifloraLOTUS Database
Salvia columbariaeLOTUS Database
Salvia elegansFooDB
Salvia hispanicaFooDB
Salvia iodanthaLOTUS Database
Salvia officinalisKNApSAcK Database
Salvia reuteranaLOTUS Database
Salvia rosmarinusFooDB
Salvia sclareaLOTUS Database
Salvia syriacaLOTUS Database
Sambucus nigraFooDB
Sambucus nigra L.FooDB
Santolina corsica Jordan et FourrPlant
Satureja cuneifoliaLOTUS Database
Satureja hortensis L.FooDB
Satureja montanaFooDB
Satureja spicigeraLOTUS Database
Satureja subspicataKNApSAcK Database
Scalesia asperaLOTUS Database
Scandix australisLOTUS Database
Scorzonera hispanicaFooDB
Secale cerealeFooDB
Sechium eduleFooDB
Senecio subsessilisLOTUS Database
Senecio vulgarisPlant
Sesamum indicumFooDB
Sesbania bispinosaFooDB
Silene latifoliaPlant
Sinapis albaFooDB
SisymbriumFooDB
Solanecio biafraeLOTUS Database
Solanum lycopersicumPlant
Solanum lycopersicum var. cerasiformeFooDB
Solanum lycopersicum var. lycopersicumFooDB
Solanum melongenaFooDB
Solanum peruvianumPlant
Solanum quitoenseFooDB
Solanum tuberosumFooDB
Solidago canadensisLOTUS Database
Solidago odoraLOTUS Database
Sorbus aucupariaFooDB
Sorghum bicolorFooDB
Sphagneticola trilobataLOTUS Database
Spinacia oleraceaFooDB
Spondias mombinLOTUS Database
Spongiporus leucomallellus (Murril)-
Stachys aegyptiacaLOTUS Database
Syzygium aromaticumFooDB
Syzygium cuminiFooDB
Syzygium jambosFooDB
Syzygium nervosumLOTUS Database
Tagetes lucidaLOTUS Database
Tagetes minutaLOTUS Database
Tamarindus indicaFooDB
Tanacetum partheniumLOTUS Database
Taraxacum officinaleFooDB
Taxus wallichianaPlant
Tetragonia tetragonioidesFooDB
Teucrium pestalozzaeLOTUS Database
ThelespermaFooDB
Thymbra spicataLOTUS Database
Thymus eigiiLOTUS Database
Thymus pulegioidesFooDB
Thymus vulgarisKNApSAcK Database
Thymus zygioidesLOTUS Database
Tilesia baccataLOTUS Database
Tilia cordataFooDB
Tilia L.FooDB
Tithonia diversifoliaLOTUS Database
Tordylium apulumLOTUS Database
Tragopogon porrifoliusFooDB
Trichostema dichotomumLOTUS Database
Trifolium pratenseLOTUS Database
Trigonella foenum-graecumFooDB
TriticumFooDB
Triticum aestivumFooDB
Triticum durumFooDB
Triticum speltaFooDB
Triticum turanicumFooDB
Typha angustifoliaFooDB
Uvariopsis tripetalaLOTUS Database
VacciniumFooDB
Vaccinium angustifoliumFooDB
Vaccinium angustifolium X Vaccinium corymbosumFooDB
Vaccinium arboreumFooDB
Vaccinium corymbosumFooDB
Vaccinium deliciosumFooDB
Vaccinium elliottiiFooDB
Vaccinium macrocarponFooDB
Vaccinium myrtilloidesFooDB
Vaccinium myrtillusFooDB
Vaccinium ovalifoliumFooDB
Vaccinium ovatumFooDB
Vaccinium oxycoccosFooDB
Vaccinium parvifoliumFooDB
Vaccinium reticulatumFooDB
Vaccinium stamineumFooDB
Vaccinium uliginosumFooDB
Vaccinium vitis-idaeaFooDB
Valerianella locustaFooDB
VanillaFooDB
Verbena officinalisFooDB
Veronica spicataPlant
Viburnum eduleFooDB
Vicia fabaFooDB
Vigna aconitifoliaFooDB
Vigna angularisFooDB
Vigna mungoFooDB
Vigna radiataFooDB
Vigna umbellataFooDB
Vigna unguiculataFooDB
Vigna unguiculata ssp. cylindricaFooDB
Vigna unguiculata ssp. unguiculataFooDB
Vigna unguiculata var. sesquipedalisFooDB
Virola surinamensisLOTUS Database
Vitex agnus-castusLOTUS Database
Vitex negundoLOTUS Database
VitisFooDB
Vitis aestivalisFooDB
Vitis labruscaFooDB
Vitis rotundifoliaFooDB
Vitis vinifera L.FooDB
Warburgia stuhlmanniiLOTUS Database
Xanthosoma sagittifoliumFooDB
Xylopia aethiopicaPlant
Xylopia aromaticaLOTUS Database
Xylopia frutescensPlant
Xylopia parvifloraPlant
Zanthoxylum armatumPlant
Zanthoxylum gilletiiLOTUS Database
Zanthoxylum simulansLOTUS Database
Zea mays L.FooDB
Zieria aspalathoidesLOTUS Database
Zingiber miogaLOTUS Database
Zingiber officinaleFooDB
ZizaniaFooDB
Zizania aquaticaFooDB
Ziziphus zizyphusFooDB
Chemical Taxonomy
Description Belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle.
KingdomOrganic compounds
Super ClassLipids and lipid-like molecules
ClassPrenol lipids
Sub ClassMonoterpenoids
Direct ParentAcyclic monoterpenoids
Alternative Parents
Substituents
  • Acyclic monoterpenoid
  • Branched unsaturated hydrocarbon
  • Alkatriene
  • Unsaturated aliphatic hydrocarbon
  • Unsaturated hydrocarbon
  • Olefin
  • Acyclic olefin
  • Hydrocarbon
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Physical Properties
StateLiquid
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling Point174.00 to 175.00 °C. @ 760.00 mm HgThe Good Scents Company Information System
Water Solubility6.92 mg/L @ 25 °C (est)The Good Scents Company Information System
LogP4.418 (est)The Good Scents Company Information System
Predicted Properties
PropertyValueSource
Water Solubility0.17 g/LALOGPS
logP4.3ALOGPS
logP3.48ChemAxon
logS-2.9ALOGPS
Physiological Charge0ChemAxon
Hydrogen Acceptor Count0ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area0 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity49.45 m³·mol⁻¹ChemAxon
Polarizability17.22 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
HMDB IDHMDB0030089
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDFDB009953
KNApSAcK IDC00000862
Chemspider ID4444881
KEGG Compound IDC09873
BioCyc IDCPD-4889
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5281553
PDB IDNot Available
ChEBI ID64280
Good Scents IDrw1423741
References
General References
  1. Simons K, Toomre D: Lipid rafts and signal transduction. Nat Rev Mol Cell Biol. 2000 Oct;1(1):31-9. [PubMed:11413487 ]
  2. Watson AD: Thematic review series: systems biology approaches to metabolic and cardiovascular disorders. Lipidomics: a global approach to lipid analysis in biological systems. J Lipid Res. 2006 Oct;47(10):2101-11. Epub 2006 Aug 10. [PubMed:16902246 ]
  3. Sethi JK, Vidal-Puig AJ: Thematic review series: adipocyte biology. Adipose tissue function and plasticity orchestrate nutritional adaptation. J Lipid Res. 2007 Jun;48(6):1253-62. Epub 2007 Mar 20. [PubMed:17374880 ]
  4. Lingwood D, Simons K: Lipid rafts as a membrane-organizing principle. Science. 2010 Jan 1;327(5961):46-50. doi: 10.1126/science.1174621. [PubMed:20044567 ]
  5. Niinemets U, Reichstein M, Staudt M, Seufert G, Tenhunen JD: Stomatal constraints may affect emission of oxygenated monoterpenoids from the foliage of Pinus pinea. Plant Physiol. 2002 Nov;130(3):1371-85. doi: 10.1104/pp.009670. [PubMed:12428002 ]
  6. (). Afendi FM, Okada T, Yamazaki M, Hirai-Morita A, Nakamura Y, Nakamura K, Ikeda S, Takahashi H, Altaf-Ul-Amin M, Darusman LK, Saito K, Kanaya S. (2012) KNApSAcK family databases: integrated metabolite-plant species databases for multifaceted plant research. Plant Cell Physiol. 2012 Feb;53(2):e1.. .
  7. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.