NP-MRD: Showing NP-Card for 1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene (NP0255017)

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Record Information

Version

2.0

Created at

2022-09-07 19:21:27 UTC

Updated at

2022-09-07 19:21:27 UTC

NP-MRD ID

NP0255017

Secondary Accession Numbers

None

Natural Product Identification

Common Name

1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene

Description

Heterotropan belongs to the class of organic compounds known as cyclobutane lignans. These are lignans with a structure characterized by to phenylpropanoid units coupled together through the C7-C7' and C8-C8' bonds, forming a cyclobutane ring with the C7, C7', C8', and C8 atoms. Heterotropan is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, Heterotropan has been detected, but not quantified in, herbs and spices and root vegetables. 1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene is found in Acorus calamus, Asarum fauriei, Magnolia salicifolia, Mosla scabra, Perilla frutescens, Piper cubeba and Sphallerocarpus gracilis. This could make heterotropan a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02011303272D          

 30 32  0  0  0  0            999 V2000
   -6.1286   -7.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8430   -8.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8430   -8.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1286   -9.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4141   -8.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4141   -8.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6996   -7.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8746   -6.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6996   -6.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8746   -7.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2913   -8.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5768   -7.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2913   -9.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5768   -9.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8623   -9.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8623   -8.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2830   -6.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2913   -6.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1286   -6.8357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8590   -6.4522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5575   -9.3107    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5575  -10.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1286  -10.1357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4141  -10.5482    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5768   -7.0066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8623   -6.5941    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1479   -9.4816    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4334   -9.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5768  -10.3066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8623  -10.7191    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
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  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
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  8 18  1  0  0  0  0
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  3 21  1  0  0  0  0
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 15 27  1  0  0  0  0
 27 28  1  0  0  0  0
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 29 30  1  0  0  0  0
M  END

     RDKit          3D

 62 64  0  0  0  0  0  0  0  0999 V2000
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   -4.0860    1.0373    0.6356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4026    1.6387   -0.3706 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2907    1.0622   -0.9476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6300    1.7160   -1.9711 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9687   -0.9635    1.9002 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7110   -2.1910    2.5858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3430    0.8041    0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5632    1.4017    0.6273 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0084    2.5425    0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4045    1.4102   -0.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1549    0.8423   -0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2884    1.4777   -1.3564 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4230    2.6533   -2.0598 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5052   -0.8161    0.5240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6265   -0.2044    1.0831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2691   -0.8710    2.1051 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7725   -2.1136    2.5511 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.2975   -2.6686   -0.7307 H   0  0  0  0  0  0  0  0  0  0  0  0
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 30 60  1  0
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 26 56  1  0
 26 57  1  0
 26 58  1  0
M  END


  Mrv0541 02011303272D          

 30 32  0  0  0  0            999 V2000
   -6.1286   -7.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8430   -8.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8430   -8.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1286   -9.3107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4141   -8.8982    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4141   -8.0732    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6996   -7.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8746   -6.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6996   -6.8357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8746   -7.6607    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2913   -8.2441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5768   -7.8316    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5768   -9.4816    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8623   -9.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.5575  -10.1357    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1286  -10.1357    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -2.5768  -10.3066    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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  2  3  1  0  0  0  0
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  6  7  1  0  0  0  0
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  7 10  1  0  0  0  0
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 29 30  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0255017

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(OC)=C(C=C1OC)C1C(C)C(C)C1C1=CC(OC)=C(OC)C=C1OC

> <INCHI_IDENTIFIER>
InChI=1S/C24H32O6/c1-13-14(2)24(16-10-20(28-6)22(30-8)12-18(16)26-4)23(13)15-9-19(27-5)21(29-7)11-17(15)25-3/h9-14,23-24H,1-8H3

> <INCHI_KEY>
WCERJEZPIONOJU-UHFFFAOYSA-N

> <FORMULA>
C24H32O6

> <MOLECULAR_WEIGHT>
416.5073

> <EXACT_MASS>
416.219888756

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_AVERAGE_POLARIZABILITY>
46.32896039125171

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene

> <ALOGPS_LOGP>
4.34

> <JCHEM_LOGP>
4.247931396666665

> <ALOGPS_LOGS>
-5.39

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-4.088324181004853

> <JCHEM_POLAR_SURFACE_AREA>
55.38000000000001

> <JCHEM_REFRACTIVITY>
115.56759999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.70e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 01-FEB-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-FEB-13         0                                  
HETATM    1  C   UNK     0     -11.440 -14.300   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0     -12.774 -15.070   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -12.774 -16.610   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -11.440 -17.380   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -10.106 -16.610   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -10.106 -15.070   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -8.773 -14.300   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -7.233 -12.760   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -8.773 -12.760   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -7.233 -14.300   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -6.144 -15.389   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -4.810 -14.619   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.144 -16.929   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.810 -17.699   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.476 -16.929   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -3.476 -15.389   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -9.862 -11.671   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -6.144 -11.671   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0     -11.440 -12.760   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0     -12.803 -12.044   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0     -14.107 -17.380   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0     -14.107 -18.920   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0     -11.440 -18.920   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0     -10.106 -19.690   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      -4.810 -13.079   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0      -3.476 -12.309   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      -2.143 -17.699   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      -0.809 -16.929   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -4.810 -19.239   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      -3.476 -20.009   0.000  0.00  0.00           C+0
CONECT    1    2    6   19                                                  
CONECT    2    1    3                                                       
CONECT    3    2    4   21                                                  
CONECT    4    3    5   23                                                  
CONECT    5    4    6                                                       
CONECT    6    5    1    7                                                  
CONECT    7    6    9   10                                                  
CONECT    8    9   10   18                                                  
CONECT    9    7    8   17                                                  
CONECT   10    7    8   11                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11   16   25                                                  
CONECT   13   11   14                                                       
CONECT   14   13   15   29                                                  
CONECT   15   14   16   27                                                  
CONECT   16   15   12                                                       
CONECT   17    9                                                            
CONECT   18    8                                                            
CONECT   19    1   20                                                       
CONECT   20   19                                                            
CONECT   21    3   22                                                       
CONECT   22   21                                                            
CONECT   23    4   24                                                       
CONECT   24   23                                                            
CONECT   25   12   26                                                       
CONECT   26   25                                                            
CONECT   27   15   28                                                       
CONECT   28   27                                                            
CONECT   29   14   30                                                       
CONECT   30   29                                                            
MASTER        0    0    0    0    0    0    0    0   30    0   64    0
END

View in JSmol

Synonyms

Value	Source
(1alpha,2beta,3beta,4alpha)-Isomer OF magnosalin	MeSH
Heterotropan	MeSH
Magnosalin	MeSH

Chemical Formula

C₂₄H₃₂O₆

Average Mass

416.5073 Da

Monoisotopic Mass

416.21989 Da

IUPAC Name

1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene

Traditional Name

1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene

CAS Registry Number

Not Available

SMILES

COC1=CC(OC)=C(C=C1OC)C1C(C)C(C)C1C1=CC(OC)=C(OC)C=C1OC

InChI Identifier

InChI=1S/C24H32O6/c1-13-14(2)24(16-10-20(28-6)22(30-8)12-18(16)26-4)23(13)15-9-19(27-5)21(29-7)11-17(15)25-3/h9-14,23-24H,1-8H3

InChI Key

WCERJEZPIONOJU-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

Species Name	Source	Reference
Acorus calamus	LOTUS Database	35616633
Asarum fauriei	LOTUS Database	35616633
Magnolia salicifolia	LOTUS Database	35616633
Mosla scabra	LOTUS Database	35616633
Perilla frutescens	LOTUS Database	35616633
Piper cubeba	LOTUS Database	35616633
Sphallerocarpus gracilis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as cyclobutane lignans. These are lignans with a structure characterized by to phenylpropanoid units coupled together through the C7-C7' and C8-C8' bonds, forming a cyclobutane ring with the C7, C7', C8', and C8 atoms.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Cyclobutane lignans

Sub Class

Not Available

Direct Parent

Cyclobutane lignans

Alternative Parents

Substituents

Cyclobutane lignan skeleton
Dibenzylbutane lignan skeleton
Stilbene
Phenoxy compound
Methoxybenzene
Phenol ether
Anisole
Alkyl aryl ether
Benzenoid
Monocyclic benzene moiety
Ether
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic 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	4.34	ALOGPS
logP	4.25	ChemAxon
logS	-5.4	ALOGPS
pKa (Strongest Basic)	-4.1	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	55.38 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	115.57 m³·mol⁻¹	ChemAxon
Polarizability	46.33 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

HMDB0030749

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB018398

KNApSAcK ID

C00000633

Chemspider ID

112271

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

126324

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene (NP0255017)

MOL for NP0255017 (1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene)

3D MOL for NP0255017 (1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene)

3D SDF for NP0255017 (1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene)

3D-SDF for NP0255017 (1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene)

PDB for NP0255017 (1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene)

3D PDB for NP0255017 (1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene)

SMILES for NP0255017 (1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene)

INCHI for NP0255017 (1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene)

Structure for NP0255017 (1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene)

3D Structure for NP0255017 (1-[2,3-dimethyl-4-(2,4,5-trimethoxyphenyl)cyclobutyl]-2,4,5-trimethoxybenzene)