NP-MRD: Showing NP-Card for 2,6,6-trimethyl-1-[(3e,5e,7e,9e,11e,13e,15e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene (NP0296489)

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Record Information

Version

2.0

Created at

2022-09-10 06:05:38 UTC

Updated at

2022-09-10 06:05:39 UTC

NP-MRD ID

NP0296489

Secondary Accession Numbers

None

Natural Product Identification

Common Name

2,6,6-trimethyl-1-[(3e,5e,7e,9e,11e,13e,15e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene

Description

Octadehydro-beta-carotene belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Thus, octadehydro-beta-carotene is considered to be an isoprenoid. 2,6,6-trimethyl-1-[(3e,5e,7e,9e,11e,13e,15e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene is found in Euglena viridis. Based on a literature review very few articles have been published on Octadehydro-beta-carotene.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309102208052D          

 40 41  0  0  0  0            999 V2000
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M  END

     RDKit          3D

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M  END


  Mrv1652309102208052D          

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   -9.2881   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.0026   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2881   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -6.1875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4315   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7171   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1460   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8605   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5749   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894   -3.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0039   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.0039   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2894   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5749   -2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.1378   -1.3629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7505   -2.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868  -13.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8171  -12.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7565  -12.5680    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -13.6125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724  -14.4375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868  -14.8500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  0  0  0  0
  4  5  3  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  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  3  0  0  0  0
 25 26  1  0  0  0  0
 26 27  2  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 29 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 26 32  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
  3 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
  2 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0296489

> <DATABASE_NAME>
NP-MRD

> <SMILES>
C\C(\C=C\C=C(/C)C#CC1=C(C)C=CCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)C=CCC1(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C40H48/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-24H,29-30H2,1-10H3/b12-11+,19-13+,20-14+,31-17+,32-18+,33-21+,34-22+

> <INCHI_KEY>
YIEZHIVCQXSQNO-ZKUOVEGJSA-N

> <FORMULA>
C40H48

> <MOLECULAR_WEIGHT>
528.824

> <EXACT_MASS>
528.375601546

> <JCHEM_ACCEPTOR_COUNT>
0

> <JCHEM_ATOM_COUNT>
88

> <JCHEM_AVERAGE_POLARIZABILITY>
69.80405190021648

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
2,6,6-trimethyl-1-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene

> <JCHEM_LOGP>
10.293494429333332

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_POLAR_SURFACE_AREA>
0.0

> <JCHEM_REFRACTIVITY>
190.33460000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
2,6,6-trimethyl-1-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene

> <JCHEM_VEBER_RULE>
1

$$$$

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     -10.669 -27.720   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -9.336 -26.950   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -9.336 -25.410   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -10.669 -24.640   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -12.003 -23.870   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -13.337 -23.100   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0     -14.670 -23.870   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0     -13.337 -21.560   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0     -14.670 -20.790   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0     -14.670 -19.250   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0     -16.004 -18.480   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0     -17.338 -19.250   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0     -16.004 -16.940   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0     -17.338 -16.170   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0     -17.338 -14.630   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0     -18.672 -13.860   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0     -18.672 -12.320   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0     -17.338 -11.550   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0     -20.005 -11.550   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0     -20.005 -10.010   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0     -21.339  -9.240   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0     -21.339  -7.700   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0     -20.005  -6.930   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0     -22.673  -6.930   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0     -24.006  -6.160   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0     -25.340  -5.390   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0     -26.674  -6.160   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0     -26.674  -7.700   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0     -28.007  -5.390   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0     -28.007  -3.850   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0     -26.674  -3.080   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0     -25.340  -3.850   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0     -24.524  -2.544   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0     -23.801  -3.796   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -8.002 -24.640   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -8.992 -23.460   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      -7.012 -23.460   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -6.668 -25.410   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -6.668 -26.950   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -8.002 -27.720   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3   40                                                  
CONECT    3    2    4   35                                                  
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                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   25                                                       
CONECT   25   24   26                                                       
CONECT   26   25   27   32                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   30                                                       
CONECT   30   29   31                                                       
CONECT   31   30   32                                                       
CONECT   32   31   26   33   34                                             
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35    3   36   37   38                                             
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38   35   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39    2                                                       
MASTER        0    0    0    0    0    0    0    0   40    0   82    0
END

View in JSmol

Synonyms

Value	Source
Octadehydro-b-carotene	Generator
Octadehydro-β-carotene	Generator

Chemical Formula

C₄₀H₄₈

Average Mass

528.8240 Da

Monoisotopic Mass

528.37560 Da

IUPAC Name

2,6,6-trimethyl-1-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene

Traditional Name

2,6,6-trimethyl-1-[(3E,5E,7E,9E,11E,13E,15E)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene

CAS Registry Number

Not Available

SMILES

C\C(\C=C\C=C(/C)C#CC1=C(C)C=CCC1(C)C)=C/C=C/C=C(\C)/C=C/C=C(\C)C#CC1=C(C)C=CCC1(C)C

InChI Identifier

InChI=1S/C40H48/c1-31(19-13-21-33(3)25-27-37-35(5)23-15-29-39(37,7)8)17-11-12-18-32(2)20-14-22-34(4)26-28-38-36(6)24-16-30-40(38,9)10/h11-24H,29-30H2,1-10H3/b12-11+,19-13+,20-14+,31-17+,32-18+,33-21+,34-22+

InChI Key

YIEZHIVCQXSQNO-ZKUOVEGJSA-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
Euglena viridis	LOTUS Database	35616633

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
Enyne
Cyclic olefin
Unsaturated aliphatic hydrocarbon
Unsaturated hydrocarbon
Olefin
Acetylene
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	10.29	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	190.33 m³·mol⁻¹	ChemAxon
Polarizability	69.8 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	No	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

C00022801

Chemspider ID

59700426

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

14034159

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 2,6,6-trimethyl-1-[(3e,5e,7e,9e,11e,13e,15e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene (NP0296489)

MOL for NP0296489 (2,6,6-trimethyl-1-[(3e,5e,7e,9e,11e,13e,15e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene)

3D MOL for NP0296489 (2,6,6-trimethyl-1-[(3e,5e,7e,9e,11e,13e,15e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene)

3D SDF for NP0296489 (2,6,6-trimethyl-1-[(3e,5e,7e,9e,11e,13e,15e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene)

3D-SDF for NP0296489 (2,6,6-trimethyl-1-[(3e,5e,7e,9e,11e,13e,15e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene)

PDB for NP0296489 (2,6,6-trimethyl-1-[(3e,5e,7e,9e,11e,13e,15e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene)

3D PDB for NP0296489 (2,6,6-trimethyl-1-[(3e,5e,7e,9e,11e,13e,15e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene)

SMILES for NP0296489 (2,6,6-trimethyl-1-[(3e,5e,7e,9e,11e,13e,15e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene)

INCHI for NP0296489 (2,6,6-trimethyl-1-[(3e,5e,7e,9e,11e,13e,15e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene)

Structure for NP0296489 (2,6,6-trimethyl-1-[(3e,5e,7e,9e,11e,13e,15e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene)

3D Structure for NP0296489 (2,6,6-trimethyl-1-[(3e,5e,7e,9e,11e,13e,15e)-3,7,12,16-tetramethyl-18-(2,6,6-trimethylcyclohexa-1,3-dien-1-yl)octadeca-3,5,7,9,11,13,15-heptaen-1,17-diyn-1-yl]cyclohexa-1,3-diene)