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Showing metabocard for (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol (HMDB0035241)

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Record Information
Version5.0
StatusExpected but not Quantified
Creation Date2012-09-11 20:11:36 UTC
Update Date2023-02-21 17:24:43 UTC
HMDB IDHMDB0035241
Secondary Accession Numbers
  • HMDB35241
Metabolite Identification
Common Name(Z)-2-Methyl-6-methylene-2,7-octadien-1-ol
Description(Z)-2-Methyl-6-methylene-2,7-octadien-1-ol belongs to the class of organic compounds known as acyclic monoterpenoids. These are monoterpenes that do not contain a cycle. Thus, (Z)-2-methyl-6-methylene-2,7-octadien-1-ol is considered to be a fatty alcohol. Based on a literature review a small amount of articles have been published on (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol.
Structure
Data?1677000283
MOL3D MOLSDF3D SDFPDB3D PDBSMILESInChI

MOL for HMDB0035241 ((Z)-2-Methyl-6-methylene-2,7-octadien-1-ol)


  Mrv0541 05061308192D          

 11 10  0  0  0  0            999 V2000
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  9  2  2  0  0  0  0
  9  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 10  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
Download

3D MOL for HMDB0035241 ((Z)-2-Methyl-6-methylene-2,7-octadien-1-ol)

HMDB0035241
     RDKit          3D
(Z)-2-Methyl-6-methylene-2,7-octadien-1-ol
 27 26  0  0  0  0  0  0  0  0999 V2000
   -1.9572    1.5877   -0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1804    0.3543   -0.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9267   -0.8624   -0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2767   -2.0246   -0.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3609   -0.9984    1.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083   -0.8726    1.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777    0.3946    0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5422    0.5204   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.7158   -0.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0732    1.8356   -0.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600    1.9083   -0.3050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    2.3877   -1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5825    1.9398    0.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164    0.1872   -1.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7166   -2.0323   -1.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187   -2.9709   -0.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8407   -0.1790    1.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7570   -1.9325    1.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3607   -1.1280    2.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5595   -1.7448    0.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4223    1.3232    1.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414   -0.4438   -1.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0477   -1.2446   -1.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4906   -1.3519   -0.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642    2.6153    0.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7505    2.1260   -1.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8273    1.3215    0.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  9 22  1  0
  9 23  1  0
  9 24  1  0
 10 25  1  0
 10 26  1  0
 11 27  1  0
M  END
Download

3D SDF for HMDB0035241 ((Z)-2-Methyl-6-methylene-2,7-octadien-1-ol)


  Mrv0541 05061308192D          

 11 10  0  0  0  0            999 V2000
   -1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  4  1  2  0  0  0  0
  6  5  1  0  0  0  0
  7  5  1  0  0  0  0
  9  2  2  0  0  0  0
  9  4  1  0  0  0  0
  9  6  1  0  0  0  0
 10  3  1  0  0  0  0
 10  7  2  0  0  0  0
 10  8  1  0  0  0  0
 11  8  1  0  0  0  0
M  END
> <DATABASE_ID>
HMDB0035241

> <DATABASE_NAME>
hmdb

> <SMILES>
C\C(CO)=C/CCC(=C)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,1-2,5-6,8H2,3H3/b10-7+

> <INCHI_KEY>
IEVYLQISZQFFGA-JXMROGBWSA-N

> <FORMULA>
C10H16O

> <MOLECULAR_WEIGHT>
152.2334

> <EXACT_MASS>
152.120115134

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_AVERAGE_POLARIZABILITY>
18.44589763318949

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-2-methyl-6-methylideneocta-2,7-dien-1-ol

> <ALOGPS_LOGP>
2.69

> <JCHEM_LOGP>
2.25632898

> <ALOGPS_LOGS>
-2.41

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
16.64401729049131

> <JCHEM_PKA_STRONGEST_BASIC>
-2.079706837139099

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
50.1537

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
5.96e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-2-methyl-6-methylideneocta-2,7-dien-1-ol

> <JCHEM_VEBER_RULE>
1

$$$$
Download

3D-SDF for HMDB0035241 ((Z)-2-Methyl-6-methylene-2,7-octadien-1-ol)

HMDB0035241
     RDKit          3D
(Z)-2-Methyl-6-methylene-2,7-octadien-1-ol
 27 26  0  0  0  0  0  0  0  0999 V2000
   -1.9572    1.5877   -0.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1804    0.3543   -0.8514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9267   -0.8624   -0.1159 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2767   -2.0246   -0.7365 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3609   -0.9984    1.2327 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1083   -0.8726    1.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6777    0.3946    0.9509 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5422    0.5204   -0.0529 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9292   -0.7158   -0.7721 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0732    1.8356   -0.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4600    1.9083   -0.3050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2208    2.3877   -1.1762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5825    1.9398    0.4570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6164    0.1872   -1.8704 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7166   -2.0323   -1.7184 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1187   -2.9709   -0.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8407   -0.1790    1.8554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7570   -1.9325    1.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3607   -1.1280    2.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5595   -1.7448    0.8056 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4223    1.3232    1.4721 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6414   -0.4438   -1.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0477   -1.2446   -1.1750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4906   -1.3519   -0.0424 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6642    2.6153    0.2610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7505    2.1260   -1.4438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8273    1.3215    0.3802 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  2  3
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  2  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
  1 12  1  0
  1 13  1  0
  2 14  1  0
  4 15  1  0
  4 16  1  0
  5 17  1  0
  5 18  1  0
  6 19  1  0
  6 20  1  0
  7 21  1  0
  9 22  1  0
  9 23  1  0
  9 24  1  0
 10 25  1  0
 10 26  1  0
 11 27  1  0
M  END
Download

PDB for HMDB0035241 ((Z)-2-Methyl-6-methylene-2,7-octadien-1-ol)

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000  -1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.335  -1.540   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   0.770   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.334   0.770   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       4.001   0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.668   0.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       6.668   2.310   0.000  0.00  0.00           O+0
CONECT    1    4                                                            
CONECT    2    9                                                            
CONECT    3   10                                                            
CONECT    4    1    9                                                       
CONECT    5    6    7                                                       
CONECT    6    5    9                                                       
CONECT    7    5   10                                                       
CONECT    8   10   11                                                       
CONECT    9    2    4    6                                                  
CONECT   10    3    7    8                                                  
CONECT   11    8                                                            
MASTER        0    0    0    0    0    0    0    0   11    0   20    0
END
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3D PDB for HMDB0035241 ((Z)-2-Methyl-6-methylene-2,7-octadien-1-ol)

COMPND    HMDB0035241
HETATM    1  C1  UNL     1      -1.957   1.588  -0.456  1.00  0.00           C  
HETATM    2  C2  UNL     1      -2.180   0.354  -0.851  1.00  0.00           C  
HETATM    3  C3  UNL     1      -1.927  -0.862  -0.116  1.00  0.00           C  
HETATM    4  C4  UNL     1      -2.277  -2.025  -0.737  1.00  0.00           C  
HETATM    5  C5  UNL     1      -1.361  -0.998   1.233  1.00  0.00           C  
HETATM    6  C6  UNL     1       0.108  -0.873   1.365  1.00  0.00           C  
HETATM    7  C7  UNL     1       0.678   0.395   0.951  1.00  0.00           C  
HETATM    8  C8  UNL     1       1.542   0.520  -0.053  1.00  0.00           C  
HETATM    9  C9  UNL     1       1.929  -0.716  -0.772  1.00  0.00           C  
HETATM   10  C10 UNL     1       2.073   1.836  -0.411  1.00  0.00           C  
HETATM   11  O1  UNL     1       3.460   1.908  -0.305  1.00  0.00           O  
HETATM   12  H1  UNL     1      -2.221   2.388  -1.176  1.00  0.00           H  
HETATM   13  H2  UNL     1      -1.583   1.940   0.457  1.00  0.00           H  
HETATM   14  H3  UNL     1      -2.616   0.187  -1.870  1.00  0.00           H  
HETATM   15  H4  UNL     1      -2.717  -2.032  -1.718  1.00  0.00           H  
HETATM   16  H5  UNL     1      -2.119  -2.971  -0.253  1.00  0.00           H  
HETATM   17  H6  UNL     1      -1.841  -0.179   1.855  1.00  0.00           H  
HETATM   18  H7  UNL     1      -1.757  -1.933   1.736  1.00  0.00           H  
HETATM   19  H8  UNL     1       0.361  -1.128   2.444  1.00  0.00           H  
HETATM   20  H9  UNL     1       0.559  -1.745   0.806  1.00  0.00           H  
HETATM   21  H10 UNL     1       0.422   1.323   1.472  1.00  0.00           H  
HETATM   22  H11 UNL     1       2.641  -0.444  -1.580  1.00  0.00           H  
HETATM   23  H12 UNL     1       1.048  -1.245  -1.175  1.00  0.00           H  
HETATM   24  H13 UNL     1       2.491  -1.352  -0.042  1.00  0.00           H  
HETATM   25  H14 UNL     1       1.664   2.615   0.261  1.00  0.00           H  
HETATM   26  H15 UNL     1       1.751   2.126  -1.444  1.00  0.00           H  
HETATM   27  H16 UNL     1       3.827   1.322   0.380  1.00  0.00           H  
CONECT    1    2    2   12   13
CONECT    2    3   14
CONECT    3    4    4    5
CONECT    4   15   16
CONECT    5    6   17   18
CONECT    6    7   19   20
CONECT    7    8    8   21
CONECT    8    9   10
CONECT    9   22   23   24
CONECT   10   11   25   26
CONECT   11   27
END
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SMILES for HMDB0035241 ((Z)-2-Methyl-6-methylene-2,7-octadien-1-ol)

C\C(CO)=C/CCC(=C)C=C
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INCHI for HMDB0035241 ((Z)-2-Methyl-6-methylene-2,7-octadien-1-ol)

InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,1-2,5-6,8H2,3H3/b10-7+
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View in JSmolView Stereo Labels
Synonyms
ValueSource
cis-Myrcenol 8HMDB
Chemical FormulaC10H16O
Average Molecular Weight152.2334
Monoisotopic Molecular Weight152.120115134
IUPAC Name(2E)-2-methyl-6-methylideneocta-2,7-dien-1-ol
Traditional Name(2E)-2-methyl-6-methylideneocta-2,7-dien-1-ol
CAS Registry Number38228-40-9
SMILES
C\C(CO)=C/CCC(=C)C=C
InChI Identifier
InChI=1S/C10H16O/c1-4-9(2)6-5-7-10(3)8-11/h4,7,11H,1-2,5-6,8H2,3H3/b10-7+
InChI KeyIEVYLQISZQFFGA-JXMROGBWSA-N
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
  • Fatty alcohol
  • Fatty acyl
  • Organic oxygen compound
  • Hydrocarbon derivative
  • Primary alcohol
  • Organooxygen compound
  • Alcohol
  • Aliphatic acyclic compound
Molecular FrameworkAliphatic acyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
Source
ProcessNot Available
RoleNot Available
Physical Properties
StateNot Available
Experimental Molecular Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water Solubility292.6 mg/L @ 25 °C (est)The Good Scents Company Information System
LogPNot AvailableNot Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
PropertyValueSource
Water Solubility0.6 g/LALOGPS
logP2.69ALOGPS
logP2.26ChemAxon
logS-2.4ALOGPS
pKa (Strongest Acidic)16.64ChemAxon
pKa (Strongest Basic)-2.1ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count1ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area20.23 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity50.15 m³·mol⁻¹ChemAxon
Polarizability18.45 ųChemAxon
Number of Rings0ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleYesChemAxon
MDDR-like RuleNoChemAxon
Predicted Chromatographic Properties

Predicted Collision Cross Sections

PredictorAdduct TypeCCS Value (Å2)Reference
DarkChem[M+H]+134.59931661259
DarkChem[M-H]-130.67531661259
DeepCCS[M+H]+143.55930932474
DeepCCS[M-H]-139.73130932474
DeepCCS[M-2H]-177.31230932474
DeepCCS[M+Na]+152.8730932474
AllCCS[M+H]+137.132859911
AllCCS[M+H-H2O]+133.032859911
AllCCS[M+NH4]+140.932859911
AllCCS[M+Na]+142.032859911
AllCCS[M-H]-135.832859911
AllCCS[M+Na-2H]-137.732859911
AllCCS[M+HCOO]-139.932859911

Predicted Kovats Retention Indices

Underivatized

MetaboliteSMILESKovats RI ValueColumn TypeReference
(Z)-2-Methyl-6-methylene-2,7-octadien-1-olC\C(CO)=C/CCC(=C)C=C1869.6Standard polar33892256
(Z)-2-Methyl-6-methylene-2,7-octadien-1-olC\C(CO)=C/CCC(=C)C=C1168.8Standard non polar33892256
(Z)-2-Methyl-6-methylene-2,7-octadien-1-olC\C(CO)=C/CCC(=C)C=C1229.6Semi standard non polar33892256

Derivatized

Derivative Name / StructureSMILESKovats RI ValueColumn TypeReference
(Z)-2-Methyl-6-methylene-2,7-octadien-1-ol,1TMS,isomer #1C=CC(=C)CC/C=C(\C)CO[Si](C)(C)C1316.8Semi standard non polar33892256
(Z)-2-Methyl-6-methylene-2,7-octadien-1-ol,1TBDMS,isomer #1C=CC(=C)CC/C=C(\C)CO[Si](C)(C)C(C)(C)C1543.3Semi standard non polar33892256
Spectra

GC-MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted GC-MSPredicted GC-MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol GC-MS (Non-derivatized) - 70eV, Positivesplash10-0gb9-9200000000-5dcbd6bbc2ce0f7ce7282017-09-01Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol GC-MS (1 TMS) - 70eV, Positivesplash10-06di-9410000000-0eb233bfc9e09bd76e8f2017-10-06Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum
Predicted GC-MSPredicted GC-MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol GC-MS (Non-derivatized) - 70eV, PositiveNot Available2021-10-12Wishart LabView Spectrum

MS/MS Spectra

Spectrum TypeDescriptionSplash KeyDeposition DateSourceView
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol 10V, Positive-QTOFsplash10-0udr-2900000000-a7e82103482f2f390de62016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol 20V, Positive-QTOFsplash10-0f79-9600000000-09c3226374fd0367649f2016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol 40V, Positive-QTOFsplash10-0udi-9000000000-3103ee0d16aa81672c462016-08-01Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol 10V, Negative-QTOFsplash10-0udi-0900000000-54e6a8bed951ee2b433a2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol 20V, Negative-QTOFsplash10-0udi-1900000000-912af154832aec00f5122016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol 40V, Negative-QTOFsplash10-0abi-9500000000-5e3b1a03d4e7c25fccfa2016-08-03Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol 10V, Negative-QTOFsplash10-0ue9-0900000000-8636a133510c4befc7ee2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol 20V, Negative-QTOFsplash10-0g4l-4900000000-1d7b33c36b5de94d820d2021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol 40V, Negative-QTOFsplash10-014l-9100000000-0f5feff2288c1d3a41842021-09-23Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol 10V, Positive-QTOFsplash10-001i-9000000000-3a54e10d8da1673526b42021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol 20V, Positive-QTOFsplash10-016r-9000000000-05a905add80f4529d03f2021-09-24Wishart LabView Spectrum
Predicted LC-MS/MSPredicted LC-MS/MS Spectrum - (Z)-2-Methyl-6-methylene-2,7-octadien-1-ol 40V, Positive-QTOFsplash10-0gdi-9000000000-a5a5e7b760504fbee70b2021-09-24Wishart LabView Spectrum

IR Spectra

Spectrum TypeDescriptionDeposition DateSourceView
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M-H]-)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+H]+)2023-02-04FELIX labView Spectrum
Predicted IR SpectrumIR Ion Spectrum (Predicted IRIS Spectrum, Adduct: [M+Na]+)2023-02-04FELIX labView Spectrum
Biological Properties
Cellular Locations
  • Membrane
Biospecimen LocationsNot Available
Tissue LocationsNot Available
Pathways
Normal Concentrations
Not Available
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDFDB013901
KNApSAcK IDC00010337
Chemspider ID4477959
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkNot Available
METLIN IDNot Available
PubChem Compound5319723
PDB IDNot Available
ChEBI IDNot Available
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDNot Available
Good Scents IDrw1126101
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
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. (). Yannai, Shmuel. (2004) Dictionary of food compounds with CD-ROM: Additives, flavors, and ingredients. Boca Raton: Chapman & Hall/CRC.. .
  6. Gunstone, Frank D., John L. Harwood, and Albert J. Dijkstra (2007). The lipid handbook with CD-ROM. CRC Press.