NP-MRD: Showing NP-Card for 3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione (NP0299104)

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Record Information

Version

2.0

Created at

2022-09-10 10:44:46 UTC

Updated at

2022-09-10 10:44:46 UTC

NP-MRD ID

NP0299104

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione

Description

3-Ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units. 3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione is found in Nassauvia cumingii. Based on a literature review very few articles have been published on 3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102212442D          

 27 27  0  0  0  0            999 V2000
    1.2375    4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    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
    0.0000    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
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END

     RDKit          3D

 59 59  0  0  0  0  0  0  0  0999 V2000
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   -0.5934    1.9764    1.6752 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6945    0.9946    1.6752 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.1545    0.8637    3.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1679   -0.3357    1.1514 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0320   -0.8627    1.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3764   -1.5706    2.9392 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3783   -0.7630    1.6880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1317   -0.1695    0.7981 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7126    0.6719   -0.3410 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6359   -0.3536    1.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1976   -1.0532   -0.1689 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6771   -1.2806   -0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4906   -0.7515   -0.9059 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -6.0127   -1.5084   -1.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3905   -1.4195   -2.7930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2665   -0.6411   -2.8544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7555    0.0431   -1.7418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6100    0.8074   -1.8949 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.3217    1.8211   -0.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.6415   -1.4987    1.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9037   -2.1101   -1.4744 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7648   -1.9399   -3.6788 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7410   -0.5419   -3.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1854    0.8495   -2.8065 H   0  0  0  0  0  0  0  0  0  0  0  0
 15 14  1  0
 14 16  1  0
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 11  9  1  0
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  8  6  1  0
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  6  5  1  0
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 21 23  1  0
 23 24  2  0
 24 25  1  0
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 26 27  1  0
  3  2  1  1
  2  1  2  3
 26 20  1  0
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  1 28  1  0
  1 29  1  0
M  END


  Mrv1652309102212442D          

 27 27  0  0  0  0            999 V2000
    1.2375    4.0145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8250    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8250    3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    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
    0.0000    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
   -0.7145    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  8  6  1  4  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
  3 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  2  0  0  0  0
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 23 24  2  0  0  0  0
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 25 26  2  0  0  0  0
 20 26  1  0  0  0  0
 26 27  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0299104

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCCC(C)=CC(=O)CC(C)(CC(=O)C1=C(C)C=CC=C1O)C=C

> <INCHI_IDENTIFIER>
InChI=1S/C24H32O3/c1-7-24(6,15-20(25)14-18(4)11-8-10-17(2)3)16-22(27)23-19(5)12-9-13-21(23)26/h7,9-10,12-14,26H,1,8,11,15-16H2,2-6H3

> <INCHI_KEY>
RFISIENEXXTNTA-UHFFFAOYSA-N

> <FORMULA>
C24H32O3

> <MOLECULAR_WEIGHT>
368.517

> <EXACT_MASS>
368.23514489

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
59

> <JCHEM_AVERAGE_POLARIZABILITY>
43.628072386030794

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione

> <JCHEM_LOGP>
6.763456780333335

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
17.84606925287706

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.260035402872228

> <JCHEM_PKA_STRONGEST_BASIC>
-4.515941137269931

> <JCHEM_POLAR_SURFACE_AREA>
54.370000000000005

> <JCHEM_REFRACTIVITY>
114.60289999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 10-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   10-SEP-22         0                                  
HETATM    1  C   UNK     0       2.310   7.494   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.540   6.160   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.540   6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   7.700   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0      -2.667   7.700   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0      -1.334  10.010   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.000  10.780   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.334  10.010   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000  12.320   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  13.090   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  14.630   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       2.667  15.400   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  16.940   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001  14.630   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       2.667   4.620   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -1.334   2.310   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5   17                                             
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12                                                       
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17    3   18                                                       
CONECT   18   17   19   20                                                  
CONECT   19   18                                                            
CONECT   20   18   21   26                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   20   27                                                  
CONECT   27   26                                                            
MASTER        0    0    0    0    0    0    0    0   27    0   54    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₄H₃₂O₃

Average Mass

368.5170 Da

Monoisotopic Mass

368.23514 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC(C)=CCCC(C)=CC(=O)CC(C)(CC(=O)C1=C(C)C=CC=C1O)C=C

InChI Identifier

InChI=1S/C24H32O3/c1-7-24(6,15-20(25)14-18(4)11-8-10-17(2)3)16-22(27)23-19(5)12-9-13-21(23)26/h7,9-10,12-14,26H,1,8,11,15-16H2,2-6H3

InChI Key

RFISIENEXXTNTA-UHFFFAOYSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Nassauvia cumingii	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sesquiterpenoids. These are terpenes with three consecutive isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Sesquiterpenoids

Direct Parent

Sesquiterpenoids

Alternative Parents

Substituents

Farsesane sesquiterpenoid
Sesquiterpenoid
Alkyl-phenylketone
Butyrophenone
Phenylketone
Benzoyl
M-cresol
Aryl alkyl ketone
Aryl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Phenol
Toluene
Monocyclic benzene moiety
Benzenoid
Acryloyl-group
Enone
Vinylogous acid
Alpha,beta-unsaturated ketone
Ketone
Carbonyl group
Hydrocarbon derivative
Organic oxygen compound
Organooxygen compound
Organic oxide
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

140034622

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione (NP0299104)

MOL for NP0299104 (3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione)

3D MOL for NP0299104 (3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione)

3D SDF for NP0299104 (3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione)

3D-SDF for NP0299104 (3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione)

PDB for NP0299104 (3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione)

3D PDB for NP0299104 (3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione)

SMILES for NP0299104 (3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione)

INCHI for NP0299104 (3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione)

Structure for NP0299104 (3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione)

3D Structure for NP0299104 (3-ethenyl-1-(2-hydroxy-6-methylphenyl)-3,7,11-trimethyldodeca-6,10-diene-1,5-dione)