NP-MRD: Showing NP-Card for (4e,6e,8e,10e,12e,14e,16z,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene (NP0285792)

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Record Information

Version

2.0

Created at

2022-09-09 14:06:37 UTC

Updated at

2022-09-09 14:06:37 UTC

NP-MRD ID

NP0285792

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4e,6e,8e,10e,12e,14e,16z,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene

Description

CRT belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone. (4e,6e,8e,10e,12e,14e,16z,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene is found in Erythrobacter litoralis, Rhodospirillum rubrum and Rhodovibrio salinarum. CRT is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI

  Mrv0541 05041402072D          

 64 63  0  0  0  0            999 V2000
    6.1875    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5375    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0625    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1875   -3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4125    0.7145    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7270   -6.8427    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2980   -6.0177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4750   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0125   -7.8592    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.0125    3.5724    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7125    2.1434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4250   -2.8579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.4750    1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.4750   -1.4289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.3000   -1.4289    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    8.2500   -4.2868    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.4289    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
 14 13  2  0  0  0  0
 21 13  1  0  0  0  0
 22 14  1  0  0  0  0
 23 15  2  0  0  0  0
 24 16  2  0  0  0  0
 25 15  1  0  0  0  0
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 29 17  1  0  0  0  0
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 31 19  2  0  0  0  0
 32 20  2  0  0  0  0
 33 19  1  0  0  0  0
 34 20  1  0  0  0  0
 35  1  1  0  0  0  0
 35 21  2  0  0  0  0
 35 23  1  0  0  0  0
 36  2  1  0  0  0  0
 36 22  2  0  0  0  0
 36 24  1  0  0  0  0
 37  3  1  0  0  0  0
 37 25  2  0  0  0  0
 37 27  1  0  0  0  0
 38  4  1  0  0  0  0
 38 26  2  0  0  0  0
 38 28  1  0  0  0  0
 39  5  1  0  0  0  0
 39 29  2  0  0  0  0
 39 31  1  0  0  0  0
 40  6  1  0  0  0  0
 40 30  2  0  0  0  0
 40 32  1  0  0  0  0
 41  7  1  0  0  0  0
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 61 29  1  0  0  0  0
 62 30  1  0  0  0  0
 63 31  1  0  0  0  0
 64 32  1  0  0  0  0
M  END

     RDKit          3D

104103  0  0  0  0  0  0  0  0999 V2000
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   16.0747    1.2600   -2.3627 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8648    2.0373   -1.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7204    2.3686   -3.3270 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7852    0.9296   -3.1258 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8371    0.3103   -2.1163 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5932    0.7296   -2.0721 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5714    0.2737   -1.1397 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0600   -0.6180   -0.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

  Mrv0541 05041402072D          

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M  END
> <DATABASE_ID>
NP0285792

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]\C(CC(C)(C)OC)=C(\[H])/C(/C)=C(\[H])/C(/[H])=C(\[H])/C(/C)=C(\[H])/C(/[H])=C(\[H])/C(/C)=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])CC(C)(C)OC

> <INCHI_IDENTIFIER>
InChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13-,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+

> <INCHI_KEY>
VAZQBTJCYODOSV-RISZBRKMSA-N

> <FORMULA>
C42H60O2

> <MOLECULAR_WEIGHT>
596.9246

> <EXACT_MASS>
596.459331164

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_AVERAGE_POLARIZABILITY>
79.54741682891608

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4E,6E,8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene

> <ALOGPS_LOGP>
9.24

> <JCHEM_LOGP>
10.363171106

> <ALOGPS_LOGS>
-6.27

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
0

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-3.8416154578584245

> <JCHEM_POLAR_SURFACE_AREA>
18.46

> <JCHEM_REFRACTIVITY>
211.51380000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.21e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(4E,6E,8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-MAY-14   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-MAY-14         0                                  
HETATM    1  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000   0.000   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       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
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HETATM   43  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
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HETATM   45  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   46  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   47  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   48  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   49  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   50  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   51  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   52  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   53  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   54  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   55  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   56  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   57  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   58  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   59  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   60  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   61  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   62  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   63  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
HETATM   64  H   UNK     0       0.000   0.000   0.000  0.00  0.00           H+0
CONECT    1   35                                                            
CONECT    2   36                                                            
CONECT    3   37                                                            
CONECT    4   38                                                            
CONECT    5   39                                                            
CONECT    6   40                                                            
CONECT    7   41                                                            
CONECT    8   41                                                            
CONECT    9   42                                                            
CONECT   10   42                                                            
CONECT   11   43                                                            
CONECT   12   44                                                            
CONECT   13   14   21   45                                                  
CONECT   14   13   22   46                                                  
CONECT   15   23   25   47                                                  
CONECT   16   24   26   48                                                  
CONECT   17   27   29   49                                                  
CONECT   18   28   30   50                                                  
CONECT   19   31   33   51                                                  
CONECT   20   32   34   52                                                  
CONECT   21   13   35   53                                                  
CONECT   22   14   36   54                                                  
CONECT   23   15   35   55                                                  
CONECT   24   16   36   56                                                  
CONECT   25   15   37   57                                                  
CONECT   26   16   38   58                                                  
CONECT   27   17   37   59                                                  
CONECT   28   18   38   60                                                  
CONECT   29   17   39   61                                                  
CONECT   30   18   40   62                                                  
CONECT   31   19   39   63                                                  
CONECT   32   20   40   64                                                  
CONECT   33   19   41                                                       
CONECT   34   20   42                                                       
CONECT   35    1   21   23                                                  
CONECT   36    2   22   24                                                  
CONECT   37    3   25   27                                                  
CONECT   38    4   26   28                                                  
CONECT   39    5   29   31                                                  
CONECT   40    6   30   32                                                  
CONECT   41    7    8   33   43                                             
CONECT   42    9   10   34   44                                             
CONECT   43   11   41                                                       
CONECT   44   12   42                                                       
CONECT   45   13                                                            
CONECT   46   14                                                            
CONECT   47   15                                                            
CONECT   48   16                                                            
CONECT   49   17                                                            
CONECT   50   18                                                            
CONECT   51   19                                                            
CONECT   52   20                                                            
CONECT   53   21                                                            
CONECT   54   22                                                            
CONECT   55   23                                                            
CONECT   56   24                                                            
CONECT   57   25                                                            
CONECT   58   26                                                            
CONECT   59   27                                                            
CONECT   60   28                                                            
CONECT   61   29                                                            
CONECT   62   30                                                            
CONECT   63   31                                                            
CONECT   64   32                                                            
MASTER        0    0    0    0    0    0    0    0   64    0  126    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₂H₆₀O₂

Average Mass

596.9246 Da

Monoisotopic Mass

596.45933 Da

IUPAC Name

(4E,6E,8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene

Traditional Name

(4E,6E,8E,10E,12E,14E,16Z,18E,20E,22E,24E,26E,28E)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene

CAS Registry Number

Not Available

SMILES

[H]\C(CC(C)(C)OC)=C(\[H])/C(/C)=C(\[H])/C(/[H])=C(\[H])/C(/C)=C(\[H])/C(/[H])=C(\[H])/C(/C)=C(\[H])/C(/[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])\C(\[H])=C(/C)\C(\[H])=C(/[H])CC(C)(C)OC

InChI Identifier

InChI=1S/C42H60O2/c1-35(23-15-25-37(3)27-17-29-39(5)31-19-33-41(7,8)43-11)21-13-14-22-36(2)24-16-26-38(4)28-18-30-40(6)32-20-34-42(9,10)44-12/h13-32H,33-34H2,1-12H3/b14-13-,23-15+,24-16+,27-17+,28-18+,31-19+,32-20+,35-21+,36-22+,37-25+,38-26+,39-29+,40-30+

InChI Key

VAZQBTJCYODOSV-RISZBRKMSA-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
Erythrobacter litoralis	LOTUS Database	35616633
Rhodospirillum rubrum	LOTUS Database	35616633
Rhodovibrio salinarum	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as xanthophylls. These are carotenoids containing an oxygenated carotene backbone. Carotenes are characterized by the presence of two end-groups (mostly cyclohexene rings, but also cyclopentene rings or acyclic groups) linked by a long branched alkyl chain. Carotenes belonging form a subgroup of the carotenoids family. Xanthophylls arise by oxygenation of the carotene backbone.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Tetraterpenoids

Direct Parent

Xanthophylls

Alternative Parents

Substituents

Xanthophyll
Ether
Dialkyl ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic 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	9.24	ALOGPS
logP	10.36	ChemAxon
logS	-6.3	ALOGPS
pKa (Strongest Basic)	-3.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	2	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	18.46 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	211.51 m³·mol⁻¹	ChemAxon
Polarizability	79.55 Å³	ChemAxon
Number of Rings	0	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

CRT

METLIN ID

Not Available

PubChem Compound

5287981

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (4e,6e,8e,10e,12e,14e,16z,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene (NP0285792)

MOL for NP0285792 ((4e,6e,8e,10e,12e,14e,16z,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene)

3D MOL for NP0285792 ((4e,6e,8e,10e,12e,14e,16z,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene)

3D SDF for NP0285792 ((4e,6e,8e,10e,12e,14e,16z,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene)

3D-SDF for NP0285792 ((4e,6e,8e,10e,12e,14e,16z,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene)

PDB for NP0285792 ((4e,6e,8e,10e,12e,14e,16z,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene)

3D PDB for NP0285792 ((4e,6e,8e,10e,12e,14e,16z,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene)

SMILES for NP0285792 ((4e,6e,8e,10e,12e,14e,16z,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene)

INCHI for NP0285792 ((4e,6e,8e,10e,12e,14e,16z,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene)

Structure for NP0285792 ((4e,6e,8e,10e,12e,14e,16z,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene)

3D Structure for NP0285792 ((4e,6e,8e,10e,12e,14e,16z,18e,20e,22e,24e,26e,28e)-2,31-dimethoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-4,6,8,10,12,14,16,18,20,22,24,26,28-tridecaene)