NP-MRD: Showing NP-Card for (6e,8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one (NP0198151)

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Record Information

Version

2.0

Created at

2022-09-04 16:32:45 UTC

Updated at

2022-09-04 16:32:46 UTC

NP-MRD ID

NP0198151

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(6e,8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one

Description

(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units. (6e,8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one is found in Thiocystis gelatinosa. Based on a literature review very few articles have been published on (6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042218322D          

 43 43  0  0  0  0            999 V2000
    8.5737   17.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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 27 76  1  0
 27 77  1  0
 27 78  1  0
 28 79  1  0
 29 80  1  0
 30 81  1  0
 32 82  1  0
 32 83  1  0
 32 84  1  0
 33 85  1  0
 34 86  1  0
 36 87  1  0
 37 88  1  0
 37 89  1  0
 38 90  1  6
 39 91  1  0
 39 92  1  0
 39 93  1  0
 40 94  1  6
 41 95  1  0
 41 96  1  0
 41 97  1  0
 42 98  1  1
 43 99  1  0
 43100  1  0
 43101  1  0
M  END


  Mrv1652309042218322D          

 43 43  0  0  0  0            999 V2000
    8.5737   17.3250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   16.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   16.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4467   16.8020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2717   15.3730    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   15.6750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   14.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   14.8500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   12.3750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   11.9625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   11.1375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   10.7250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    9.4875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    8.2500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    7.0125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    5.7750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145    6.1875    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
    0.7145    3.7125    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
   -0.7145    3.7125    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
    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
    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
    0.7145   -1.2375    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
   -0.7145   -0.4125    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 C   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  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  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
 15 16  1  0  0  0  0
 15 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 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
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 28 29  2  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 35 42  1  0  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0198151

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(C)(C)CCC(=O)C(\C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=CCC(C)C(C)C1C

> <INCHI_IDENTIFIER>
InChI=1S/C41H58O2/c1-31(19-14-21-33(3)23-16-24-36(6)40(42)29-30-41(9,10)43-11)17-12-13-18-32(2)20-15-22-34(4)25-27-39-28-26-35(5)37(7)38(39)8/h12-25,27-28,35,37-38H,26,29-30H2,1-11H3/b13-12+,19-14+,20-15+,23-16+,27-25+,31-17+,32-18+,33-21+,34-22+,36-24+

> <INCHI_KEY>
BPFOOJMZOVATSQ-TYKRLFMMSA-N

> <FORMULA>
C41H58O2

> <MOLECULAR_WEIGHT>
582.913

> <EXACT_MASS>
582.443681108

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
101

> <JCHEM_AVERAGE_POLARIZABILITY>
76.67957552473904

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one

> <JCHEM_LOGP>
10.468894199333334

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.97724047043929

> <JCHEM_PKA_STRONGEST_BASIC>
-4.0146433170136575

> <JCHEM_POLAR_SURFACE_AREA>
26.3

> <JCHEM_REFRACTIVITY>
201.4795000000001

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
okenone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0      16.004  32.340   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      16.004  30.800   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      14.670  30.030   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      13.900  31.364   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      15.440  28.696   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      13.337  29.260   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      13.337  27.720   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.003  26.950   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      10.669  27.720   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      12.003  25.410   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      13.337  24.640   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      10.669  24.640   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      10.669  23.100   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       9.336  22.330   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.336  20.790   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.669  20.020   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       8.002  20.020   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       8.002  18.480   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       6.668  17.710   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       6.668  16.170   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       8.002  15.400   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.335  15.400   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       5.335  13.860   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       4.001  13.090   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001  11.550   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.667  10.780   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.334  11.550   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.667   9.240   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.334   8.470   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.334   6.930   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    5    6                                             
CONECT    4    3                                                            
CONECT    5    3                                                            
CONECT    6    3    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11   12                                                  
CONECT   11   10                                                            
CONECT   12   10   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29                                                       
CONECT   29   28   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34                                                       
CONECT   34   33   35                                                       
CONECT   35   34   36   42                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40   35   43                                                  
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   86    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₁H₅₈O₂

Average Mass

582.9130 Da

Monoisotopic Mass

582.44368 Da

IUPAC Name

(6E,8E,10E,12E,14E,16E,18E,20E,22E,24E)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one

Traditional Name

okenone

CAS Registry Number

Not Available

SMILES

COC(C)(C)CCC(=O)C(\C)=C\C=C\C(\C)=C\C=C\C(\C)=C\C=C\C=C(/C)\C=C\C=C(/C)\C=C\C1=CCC(C)C(C)C1C

InChI Identifier

InChI=1S/C41H58O2/c1-31(19-14-21-33(3)23-16-24-36(6)40(42)29-30-41(9,10)43-11)17-12-13-18-32(2)20-15-22-34(4)25-27-39-28-26-35(5)37(7)38(39)8/h12-25,27-28,35,37-38H,26,29-30H2,1-11H3/b13-12+,19-14+,20-15+,23-16+,27-25+,31-17+,32-18+,33-21+,34-22+,36-24+

InChI Key

BPFOOJMZOVATSQ-TYKRLFMMSA-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
Thiocystis gelatinosa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as triterpenoids. These are terpene molecules containing six isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Triterpenoids

Direct Parent

Triterpenoids

Alternative Parents

Substituents

Triterpenoid
Alpha-branched alpha,beta-unsaturated-ketone
Alpha,beta-unsaturated ketone
Enone
Acryloyl-group
Ketone
Ether
Dialkyl ether
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	10.47	ChemAxon
pKa (Strongest Acidic)	18.98	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	26.3 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	201.48 m³·mol⁻¹	ChemAxon
Polarizability	76.68 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	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

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

23724694

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (6e,8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one (NP0198151)

MOL for NP0198151 ((6e,8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one)

3D MOL for NP0198151 ((6e,8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one)

3D SDF for NP0198151 ((6e,8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one)

3D-SDF for NP0198151 ((6e,8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one)

PDB for NP0198151 ((6e,8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one)

3D PDB for NP0198151 ((6e,8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one)

SMILES for NP0198151 ((6e,8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one)

INCHI for NP0198151 ((6e,8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one)

Structure for NP0198151 ((6e,8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one)

3D Structure for NP0198151 ((6e,8e,10e,12e,14e,16e,18e,20e,22e,24e)-2-methoxy-2,6,10,14,19,23-hexamethyl-25-(4,5,6-trimethylcyclohex-1-en-1-yl)pentacosa-6,8,10,12,14,16,18,20,22,24-decaen-5-one)