NP-MRD: Showing NP-Card for 2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione (NP0144547)

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Record Information

Version

2.0

Created at

2022-09-01 23:33:04 UTC

Updated at

2022-09-01 23:33:04 UTC

NP-MRD ID

NP0144547

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

Description

Pseudoalteromone A belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6). 2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione was first documented in 2014 (PMID: 24477384). Based on a literature review very few articles have been published on Pseudoalteromone A (PMID: 34822483).

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 47 47  0  0  0  0  0  0  0  0999 V2000
   -6.5837   -0.7755    1.3437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8690    0.4361    1.0558 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5638    0.3799    0.5945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3031    0.1148   -0.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4212   -0.1015   -1.5011 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0764    1.0757   -1.9504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9695    0.0434   -1.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7467   -0.2104   -2.4190 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7700    0.2723   -0.3361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4651    0.1855   -0.9885 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7553    0.4293   -0.2389 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7198   -0.5169   -0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192   -1.8580   -0.7041 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9216   -0.1622    0.6770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1144   -0.3010   -0.2790 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4090    0.0423    0.4283 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5017   -0.1176   -0.5632 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9140    0.1489   -0.1721 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3092   -0.4659   -1.7193 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0258    0.5346    0.9199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9253    0.7790    1.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4162    0.6035    1.4530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6228    0.8611    2.6770 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0059   -1.2996    2.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4787   -1.3933    0.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6233   -0.5704    1.5978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4167    1.6145   -1.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9004    0.8638   -2.6401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3327    1.6940   -2.4781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3697   -0.7656   -1.5938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4753    0.9869   -1.8110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8953    1.4080    0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8199   -1.8747   -1.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2661   -2.5573   -0.1374 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5658   -2.2170   -0.5089 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0195   -0.8941    1.5156 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8432    0.8534    1.0582 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1138   -1.3223   -0.6722 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9656    0.4098   -1.1162 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3752    1.0983    0.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5703   -0.5735    1.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0185    0.5396    0.8461 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4718   -0.8012   -0.3272 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3215    0.8608   -0.9302 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1537    0.0194    1.9064 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3968    0.6888    2.9287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5987    1.8345    1.8743 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 12 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
  9 20  2  0
 20 21  1  0
 20 22  1  0
 22 23  2  0
 22  3  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  6 27  1  0
  6 28  1  0
  6 29  1  0
 10 30  1  0
 10 31  1  0
 11 32  1  0
 13 33  1  0
 13 34  1  0
 13 35  1  0
 14 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
 16 40  1  0
 16 41  1  0
 18 42  1  0
 18 43  1  0
 18 44  1  0
 21 45  1  0
 21 46  1  0
 21 47  1  0
M  END


  Mrv1652309022201332D          

 23 23  0  0  0  0            999 V2000
   -7.1447    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    7.0125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289    4.9500    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
    0.0000    4.9500    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    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    4.5375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    4.5375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  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
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  4  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
  9 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0144547

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(OC)C(=O)C(CC=C(C)CCCC(C)=O)=C(C)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H24O5/c1-11(7-6-8-12(2)19)9-10-14-13(3)15(20)17(22-4)18(23-5)16(14)21/h9H,6-8,10H2,1-5H3

> <INCHI_KEY>
MALZBBXUOWKWND-UHFFFAOYSA-N

> <FORMULA>
C18H24O5

> <MOLECULAR_WEIGHT>
320.385

> <EXACT_MASS>
320.162373873

> <JCHEM_ACCEPTOR_COUNT>
5

> <JCHEM_ATOM_COUNT>
47

> <JCHEM_AVERAGE_POLARIZABILITY>
35.13610290561684

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

> <ALOGPS_LOGP>
2.84

> <JCHEM_LOGP>
2.561789568666667

> <ALOGPS_LOGS>
-4.29

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
19.63966581154506

> <JCHEM_PKA_STRONGEST_BASIC>
-4.717687491877704

> <JCHEM_POLAR_SURFACE_AREA>
69.67

> <JCHEM_REFRACTIVITY>
91.40129999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.63e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 02-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   02-SEP-22         0                                  
HETATM    1  C   UNK     0     -13.337  10.780   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0     -12.003  11.550   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0     -10.669  10.780   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -9.336  11.550   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0      -9.336  13.090   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0      -8.002  13.860   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -8.002  10.780   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -6.668  11.550   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -8.002   9.240   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -6.668   8.470   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.335   9.240   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.001   8.470   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.001   6.930   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -1.334   8.470   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   9.240   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       1.334   6.930   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -9.336   8.470   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -9.336   6.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -10.669   9.240   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0     -12.003   8.470   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   22                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5                                                            
CONECT    7    4    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   20                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20    9   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20    3   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₄O₅

Average Mass

320.3850 Da

Monoisotopic Mass

320.16237 Da

IUPAC Name

2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

Traditional Name

2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione

CAS Registry Number

Not Available

SMILES

COC1=C(OC)C(=O)C(CC=C(C)CCCC(C)=O)=C(C)C1=O

InChI Identifier

InChI=1S/C18H24O5/c1-11(7-6-8-12(2)19)9-10-14-13(3)15(20)17(22-4)18(23-5)16(14)21/h9H,6-8,10H2,1-5H3

InChI Key

MALZBBXUOWKWND-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

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6).

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Quinone and hydroquinone lipids

Direct Parent

Ubiquinones

Alternative Parents

Substituents

Ubiquinone skeleton
Monoterpenoid
Monocyclic monoterpenoid
Quinone
P-benzoquinone
Vinylogous ester
Cyclic ketone
Ketone
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Carbonyl group
Aliphatic homomonocyclic compound

Molecular Framework

Aliphatic 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
logP	2.84	ALOGPS
logP	2.56	ChemAxon
logS	-4.3	ALOGPS
pKa (Strongest Acidic)	19.64	ChemAxon
pKa (Strongest Basic)	-4.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	5	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	69.67 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	91.4 m³·mol⁻¹	ChemAxon
Polarizability	35.14 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

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

78435716

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

76450517

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Lim SJ, Min DJ, Kim S, Lee J, Lee ES, Kim H, Cho SY, Beak HS, Lee CS, Nam SJ, Ko J: Pseudoalteromone A, a Ubiquinone Derivative from Marine Pseudoalteromonas spp., Suppresses Melanogenesis. Mar Drugs. 2021 Oct 28;19(11):612. doi: 10.3390/md19110612. [PubMed:34822483 ]
Ding L, He S, Yan X: Efficient preparation of pseudoalteromone A from marine Pseudoalteromonas rubra QD1-2 by combination of response surface methodology and high-speed counter-current chromatography: a comparison with high-performance liquid chromatography. Appl Microbiol Biotechnol. 2014 May;98(10):4369-77. doi: 10.1007/s00253-014-5530-0. Epub 2014 Jan 31. [PubMed:24477384 ]
LOTUS database [Link]

Showing NP-Card for 2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione (NP0144547)

MOL for NP0144547 (2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione)

3D MOL for NP0144547 (2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione)

3D SDF for NP0144547 (2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione)

3D-SDF for NP0144547 (2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione)

PDB for NP0144547 (2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione)

3D PDB for NP0144547 (2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione)

SMILES for NP0144547 (2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione)

INCHI for NP0144547 (2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione)

Structure for NP0144547 (2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione)

3D Structure for NP0144547 (2,3-dimethoxy-5-methyl-6-(3-methyl-7-oxooct-2-en-1-yl)cyclohexa-2,5-diene-1,4-dione)