NP-MRD: Showing NP-Card for 5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione (NP0198752)

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Record Information

Version

2.0

Created at

2022-09-04 17:15:30 UTC

Updated at

2022-09-04 17:15:30 UTC

NP-MRD ID

NP0198752

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione

Description

Isoarnebifuranone belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6). 5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione is found in Arnebia euchroma. 5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione was first documented in 2005 (PMID: 15903320). Based on a literature review very few articles have been published on Isoarnebifuranone.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 43 44  0  0  0  0  0  0  0  0999 V2000
   -5.9915    2.1803    0.5759 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1126    1.6420   -0.4143 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8410    1.2009   -0.0852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6277   -0.0808    0.1011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6671   -0.9573   -0.0336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9571   -1.7175   -1.1768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2633   -0.5535    0.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1793   -1.7956    0.6127 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1527    0.3494    0.6005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1963   -0.0616    0.9902 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9589   -0.9169    0.0644 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5733   -2.2862   -0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038   -0.3874   -0.4317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9990   -1.0686   -1.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3815   -1.3124   -0.7798 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0383   -0.0320   -0.4092 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9801    0.6323    0.8021 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7402    1.7674    0.6764 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2464    1.8206   -0.5313 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.8494    0.7645   -1.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4510    1.6542    0.3936 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7546    2.1453    0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9509    3.3878   -0.1251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1254    1.3430    1.3183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5267    3.0649    1.0169 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9809    2.3893    0.1741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1118   -2.4079   -1.4569 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7946   -2.4221   -0.8985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2715   -1.1181   -2.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1767   -0.5400    2.0359 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7528    0.8985    1.2215 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4312   -2.8710   -0.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1614   -2.8856    0.5725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1824   -2.2750   -1.0785 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3726    0.6097   -0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5960   -1.9275   -1.9167 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2156   -0.3144   -2.2043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9805   -1.7701   -1.5992 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3261   -1.9397    0.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4488    0.3363    1.6856 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9110    2.5157    1.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1296    0.5706   -2.2325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6274    2.3686    0.4979 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
  4  7  1  0
  7  8  2  0
  7  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  2  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 20  2  0
 20 19  1  0
 19 18  1  0
 18 17  2  0
  9 21  2  0
 21 22  1  0
 22 23  2  0
 22  3  1  0
 17 16  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  6 27  1  0
  6 28  1  0
  6 29  1  0
 10 30  1  0
 10 31  1  0
 12 32  1  0
 12 33  1  0
 12 34  1  0
 13 35  1  0
 14 36  1  0
 14 37  1  0
 15 38  1  0
 15 39  1  0
 20 42  1  0
 18 41  1  0
 17 40  1  0
 21 43  1  0
M  END


  Mrv1652309042219152D          

 23 24  0  0  0  0            999 V2000
    0.1067   10.5402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    9.7152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    9.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6078    8.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    8.0652    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1067    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    8.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    7.2402    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    8.4777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    8.0652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    7.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656    6.8277    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4656    6.0027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    5.5902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7512    4.7652    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0837    4.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3387    3.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1637    3.4956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4186    4.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0367    9.3027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222    9.7152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3222   10.5402    0.0000 O   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  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  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  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 16 20  2  0  0  0  0
  9 21  2  0  0  0  0
 21 22  1  0  0  0  0
  3 22  1  0  0  0  0
 22 23  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0198752

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(OC)C(=O)C(C\C(C)=C\CCC2=COC=C2)=CC1=O

> <INCHI_IDENTIFIER>
InChI=1S/C18H20O5/c1-12(5-4-6-13-7-8-23-11-13)9-14-10-15(19)17(21-2)18(22-3)16(14)20/h5,7-8,10-11H,4,6,9H2,1-3H3/b12-5+

> <INCHI_KEY>
AROFVSZVAKNDAP-LFYBBSHMSA-N

> <FORMULA>
C18H20O5

> <MOLECULAR_WEIGHT>
316.353

> <EXACT_MASS>
316.131073744

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
43

> <JCHEM_AVERAGE_POLARIZABILITY>
33.26493136925428

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-[(2E)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione

> <JCHEM_LOGP>
2.986336149666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
-2.781580626384651

> <JCHEM_POLAR_SURFACE_AREA>
65.74000000000001

> <JCHEM_REFRACTIVITY>
89.83509999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
5-[(2E)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione

> <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       0.199  19.675   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.199  18.135   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.134  17.365   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.134  15.825   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.199  15.055   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       0.199  13.515   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -2.468  15.055   0.000  0.00  0.00           C+0
HETATM    8  O   UNK     0      -2.468  13.515   0.000  0.00  0.00           O+0
HETATM    9  C   UNK     0      -3.802  15.825   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -5.136  15.055   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -5.136  13.515   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.802  12.745   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -6.469  12.745   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -6.469  11.205   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -5.136  10.435   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.136   8.895   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -3.890   7.990   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.366   6.525   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0      -5.906   6.525   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0      -6.381   7.990   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.802  17.365   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -2.468  18.135   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -2.468  19.675   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   22                                                  
CONECT    4    3    5    7                                                  
CONECT    5    4    6                                                       
CONECT    6    5                                                            
CONECT    7    4    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7   10   21                                                  
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   20                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20                                                       
CONECT   20   19   16                                                       
CONECT   21    9   22                                                       
CONECT   22   21    3   23                                                  
CONECT   23   22                                                            
MASTER        0    0    0    0    0    0    0    0   23    0   48    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₂₀O₅

Average Mass

316.3530 Da

Monoisotopic Mass

316.13107 Da

IUPAC Name

5-[(2E)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione

Traditional Name

5-[(2E)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione

CAS Registry Number

Not Available

SMILES

COC1=C(OC)C(=O)C(C\C(C)=C\CCC2=COC=C2)=CC1=O

InChI Identifier

InChI=1S/C18H20O5/c1-12(5-4-6-13-7-8-23-11-13)9-14-10-15(19)17(21-2)18(22-3)16(14)20/h5,7-8,10-11H,4,6,9H2,1-3H3/b12-5+

InChI Key

AROFVSZVAKNDAP-LFYBBSHMSA-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
Arnebia euchroma	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as ubiquinones. These are coenzyme Q derivatives containing a 5, 6-dimethoxy-3-methyl(1,4-benzoquinone) moiety to which an isoprenyl group is attached at ring position 2(or 6).

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Quinone and hydroquinone lipids

Direct Parent

Ubiquinones

Alternative Parents

Substituents

Ubiquinone skeleton
P-benzoquinone
Quinone
Furan
Heteroaromatic compound
Vinylogous ester
Ketone
Cyclic ketone
Oxacycle
Organoheterocyclic compound
Hydrocarbon derivative
Organic oxide
Organooxygen compound
Aldehyde
Organic oxygen compound
Carbonyl group
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic 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	2.99	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	65.74 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	89.84 m³·mol⁻¹	ChemAxon
Polarizability	33.26 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	Yes	ChemAxon
Ghose Filter	Yes	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

5005140

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6505036

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Davis CJ, Hurst TE, Jacob AM, Moody CJ: Microwave-mediated Claisen rearrangement followed by phenol oxidation: a simple route to naturally occurring 1,4-benzoquinones. The first syntheses of verapliquinones A and B and panicein A. J Org Chem. 2005 May 27;70(11):4414-22. doi: 10.1021/jo050336x. [PubMed:15903320 ]
LOTUS database [Link]

Showing NP-Card for 5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione (NP0198752)

MOL for NP0198752 (5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione)

3D MOL for NP0198752 (5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione)

3D SDF for NP0198752 (5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione)

3D-SDF for NP0198752 (5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione)

PDB for NP0198752 (5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione)

3D PDB for NP0198752 (5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione)

SMILES for NP0198752 (5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione)

INCHI for NP0198752 (5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione)

Structure for NP0198752 (5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione)

3D Structure for NP0198752 (5-[(2e)-5-(furan-3-yl)-2-methylpent-2-en-1-yl]-2,3-dimethoxycyclohexa-2,5-diene-1,4-dione)