NP-MRD: Showing NP-Card for 1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene (NP0314757)

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Record Information

Version

2.0

Created at

2022-09-11 13:01:39 UTC

Updated at

2022-09-11 13:01:39 UTC

NP-MRD ID

NP0314757

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene

Description

1-Methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Based on a literature review very few articles have been published on 1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 65 65  0  0  0  0  0  0  0  0999 V2000
    3.6957    2.7980   -0.9458 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8377    1.5173   -0.5764 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8159    0.5504   -1.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7400    1.1913   -1.8935 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8016    0.0974   -2.2753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4697    0.1571   -1.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9751    1.3087   -1.1626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3889   -0.9390   -2.3180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9456   -1.5146   -1.0038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8610   -2.6096   -1.3881 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1245   -2.5836   -1.1131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9962   -3.7181   -1.5249 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7768   -1.4622   -0.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4014   -1.8904    0.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0371   -0.8244    1.6335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1622    0.4630    1.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6522    1.3507    0.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9532    1.2267    2.5825 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9442    1.0379    0.2538 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.4837    0.4022    1.5731 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6491   -0.3829    2.0317 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8545    0.1035    1.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0494   -0.6974    2.3775 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1128    1.4264    1.3251 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9611    2.0638    0.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8743    3.1336   -1.5592 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4474    3.5103   -0.6041 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2949   -0.2303   -1.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3969    0.0277   -0.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1891    1.6639   -2.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1892    1.9711   -1.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2287   -0.7297   -2.8423 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8246    2.2713   -1.6943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0632    1.1931   -1.0218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5146    1.3161   -0.1502 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8870   -1.7317   -2.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2341   -0.5369   -2.9230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0126   -1.9338   -0.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3108   -0.7687   -0.3253 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4088   -3.4743   -1.9345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6078   -4.1149   -0.7005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6023   -3.4100   -2.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3869   -4.5885   -1.8939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6709   -1.1845   -1.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1888   -0.5715   -0.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5703   -2.3079    1.5355 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1294   -2.7381    0.7367 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5580   -1.2075    2.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9203    1.0114   -0.5802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5638    1.5569    0.5159 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1082    2.3958    0.5326 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0015    1.3159    2.2870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8924    0.6195    3.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5038    2.2164    2.7370 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4523    0.1953   -0.2955 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3453    1.2539    2.2920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5725   -0.1832    1.4658 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4962   -1.3605    2.4676 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9050   -0.4823    1.7361 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2889   -0.3160    3.4027 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7462   -1.7487    2.3854 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0059    1.3953    0.6390 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4782    2.0732    2.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5161    2.8113    1.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3311    2.6146   -0.2925 H   0  0  0  0  0  0  0  0  0  0  0  0
 17 16  1  0
 16 18  1  0
 16 15  2  3
 15 14  1  0
 14 13  1  0
 13 11  1  0
 11 12  1  0
 11 10  2  0
 10  9  1  0
  9  8  1  0
  8  6  1  0
  6  7  1  0
  6  5  2  0
  5  4  1  0
  4  3  1  0
  3  2  1  0
  2  1  2  3
  2 19  1  0
 19 25  1  0
 25 24  1  0
 24 22  1  0
 22 23  1  0
 22 21  2  0
 21 20  1  0
 20 19  1  0
 17 49  1  0
 17 50  1  0
 17 51  1  0
 18 52  1  0
 18 53  1  0
 18 54  1  0
 15 48  1  0
 14 46  1  0
 14 47  1  0
 13 44  1  0
 13 45  1  0
 12 41  1  0
 12 42  1  0
 12 43  1  0
 10 40  1  0
  9 38  1  0
  9 39  1  0
  8 36  1  0
  8 37  1  0
  7 33  1  0
  7 34  1  0
  7 35  1  0
  5 32  1  0
  4 30  1  0
  4 31  1  0
  3 28  1  0
  3 29  1  0
  1 26  1  0
  1 27  1  0
 19 55  1  6
 25 64  1  0
 25 65  1  0
 24 62  1  0
 24 63  1  0
 23 59  1  0
 23 60  1  0
 23 61  1  0
 21 58  1  0
 20 56  1  0
 20 57  1  0
M  END


  Mrv1652309112215012D          

 25 25  0  0  0  0            999 V2000
    1.4289    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
    0.0000    2.4750    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
   -0.7145    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
   -1.4289    4.9500    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
   -2.1434    6.1875    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
   -1.4289    7.4250    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
   -2.8579    8.2500    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
   -3.5724    9.4875    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
   -2.8579    9.9000    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
    0.0000    0.8250    0.0000 C   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
  5  4  1  4  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
 10  9  1  4  0  0  0
 10 11  2  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 16 18  1  0  0  0  0
  2 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 19 25  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0314757

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCCC(C)=CCCC(C)=CCCC(=C)C1CCC(C)=CC1

> <INCHI_IDENTIFIER>
InChI=1S/C25H40/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-24(6)25-18-16-23(5)17-19-25/h10,12,14,16,25H,6-9,11,13,15,17-19H2,1-5H3

> <INCHI_KEY>
BGFULIZGCATQRB-UHFFFAOYSA-N

> <FORMULA>
C25H40

> <MOLECULAR_WEIGHT>
340.595

> <EXACT_MASS>
340.313001288

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
65

> <JCHEM_AVERAGE_POLARIZABILITY>
45.694076484873165

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene

> <JCHEM_LOGP>
8.198955476666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
117.88809999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 11-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   11-SEP-22         0                                  
HETATM    1  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000   6.160   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.334   6.930   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  C   UNK     0       0.000   9.240   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -2.667   9.240   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -2.667  10.780   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -4.001  11.550   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.001  13.090   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667  13.860   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -5.335  13.860   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.335  15.400   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -6.668  16.170   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.668  17.710   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -8.002  18.480   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.335  18.480   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       2.667  -0.000   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   19                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9                                                       
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17   18                                                  
CONECT   17   16                                                            
CONECT   18   16                                                            
CONECT   19    2   20   25                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   19                                                       
MASTER        0    0    0    0    0    0    0    0   25    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₅H₄₀

Average Mass

340.5950 Da

Monoisotopic Mass

340.31300 Da

IUPAC Name

1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene

Traditional Name

1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene

CAS Registry Number

Not Available

SMILES

CC(C)=CCCC(C)=CCCC(C)=CCCC(=C)C1CCC(C)=CC1

InChI Identifier

InChI=1S/C25H40/c1-20(2)10-7-11-21(3)12-8-13-22(4)14-9-15-24(6)25-18-16-23(5)17-19-25/h10,12,14,16,25H,6-9,11,13,15,17-19H2,1-5H3

InChI Key

BGFULIZGCATQRB-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 diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Branched unsaturated hydrocarbon
Cycloalkene
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Hydrocarbon
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	8.2	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	0	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	0 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	117.89 m³·mol⁻¹	ChemAxon
Polarizability	45.69 Å³	ChemAxon
Number of Rings	1	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	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

162841837

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene (NP0314757)

MOL for NP0314757 (1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene)

3D MOL for NP0314757 (1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene)

3D SDF for NP0314757 (1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene)

3D-SDF for NP0314757 (1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene)

PDB for NP0314757 (1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene)

3D PDB for NP0314757 (1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene)

SMILES for NP0314757 (1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene)

INCHI for NP0314757 (1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene)

Structure for NP0314757 (1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene)

3D Structure for NP0314757 (1-methyl-4-(6,10,14-trimethylpentadeca-1,5,9,13-tetraen-2-yl)cyclohex-1-ene)