NP-MRD: Showing NP-Card for 6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid (NP0152321)

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Record Information

Version

2.0

Created at

2022-09-02 08:46:29 UTC

Updated at

2022-09-02 08:46:29 UTC

NP-MRD ID

NP0152321

Secondary Accession Numbers

None

Natural Product Identification

Common Name

6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid

Description

6-[5-(3,7-Dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid belongs to the class of organic compounds known as diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group. 6-[5-(3,7-Dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171522112D          

 42 43  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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 40 42  1  0  0  0  0
M  END

     RDKit          3D

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M  END


  Mrv1533004171522112D          

 42 43  0  0  0  0            999 V2000
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    3.5724    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    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
    2.1434    3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    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
    0.7145   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -2.8875    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
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0000   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.8250    0.0000 C   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
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 10  1  4  0  0  0
 11 12  2  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  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
  9 20  2  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 22 25  2  0  0  0  0
  7 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
  5 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 31 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
  3 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0152321

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(OC2=CC(CC=C(C)CCC=C(C)C)=C(O)C(OC)=C2CC=C(C)C)=C(C(O)=O)C(O)=C1CC=C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C35H46O7/c1-21(2)11-10-12-24(7)15-16-25-19-29(27(18-14-23(5)6)34(41-9)32(25)36)42-30-20-28(40-8)26(17-13-22(3)4)33(37)31(30)35(38)39/h11,13-15,19-20,36-37H,10,12,16-18H2,1-9H3,(H,38,39)

> <INCHI_KEY>
YBTOQNWLEAPZLG-UHFFFAOYSA-N

> <FORMULA>
C35H46O7

> <MOLECULAR_WEIGHT>
578.746

> <EXACT_MASS>
578.324353821

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
88

> <JCHEM_AVERAGE_POLARIZABILITY>
64.36946278537233

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid

> <ALOGPS_LOGP>
6.54

> <JCHEM_LOGP>
9.704058005333337

> <ALOGPS_LOGS>
-5.80

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.878186981948474

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.5892889550201756

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6944136123979825

> <JCHEM_POLAR_SURFACE_AREA>
105.45000000000002

> <JCHEM_REFRACTIVITY>
172.97420000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
9.26e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      -2.667  -0.000   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -1.334  -0.770   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       2.667   6.160   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       1.334   6.930   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.001   6.930   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       6.668  -2.310   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      -1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      -2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0      -0.000  -7.700   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      -4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      -5.335  -0.000   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      -6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   37                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   31                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   25                                                  
CONECT    8    7    9                                                       
CONECT    9    8   10   20                                                  
CONECT   10    9   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17                                                            
CONECT   20    9   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23   25                                                  
CONECT   23   22   24                                                       
CONECT   24   23                                                            
CONECT   25   22    7   26                                                  
CONECT   26   25   27                                                       
CONECT   27   26   28                                                       
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28                                                            
CONECT   31    5   32   35                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32                                                            
CONECT   34   32                                                            
CONECT   35   31   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35    3   38                                                  
CONECT   38   37   39                                                       
CONECT   39   38   40                                                       
CONECT   40   39   41   42                                                  
CONECT   41   40                                                            
CONECT   42   40                                                            
MASTER        0    0    0    0    0    0    0    0   42    0   86    0
END

View in JSmol

Synonyms

Value	Source
6-[5-(3,7-Dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoate	Generator

Chemical Formula

C₃₅H₄₆O₇

Average Mass

578.7460 Da

Monoisotopic Mass

578.32435 Da

IUPAC Name

6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid

Traditional Name

6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid

CAS Registry Number

Not Available

SMILES

COC1=CC(OC2=CC(CC=C(C)CCC=C(C)C)=C(O)C(OC)=C2CC=C(C)C)=C(C(O)=O)C(O)=C1CC=C(C)C

InChI Identifier

InChI=1S/C35H46O7/c1-21(2)11-10-12-24(7)15-16-25-19-29(27(18-14-23(5)6)34(41-9)32(25)36)42-30-20-28(40-8)26(17-13-22(3)4)33(37)31(30)35(38)39/h11,13-15,19-20,36-37H,10,12,16-18H2,1-9H3,(H,38,39)

InChI Key

YBTOQNWLEAPZLG-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 diphenylethers. These are aromatic compounds containing two benzene rings linked to each other through an ether group.

Kingdom

Organic compounds

Super Class

Benzenoids

Class

Benzene and substituted derivatives

Sub Class

Diphenylethers

Direct Parent

Diphenylethers

Alternative Parents

Substituents

Diphenylether
Diaryl ether
P-methoxybenzoic acid or derivatives
Hydroxybenzoic acid
Methoxyphenol
Monocyclic monoterpenoid
Monoterpenoid
Salicylic acid or derivatives
Salicylic acid
Aromatic monoterpenoid
Benzoic acid or derivatives
Benzoic acid
Phenol ether
Phenoxy compound
Benzoyl
Methoxybenzene
Anisole
Phenol
1-hydroxy-4-unsubstituted benzenoid
Alkyl aryl ether
Vinylogous acid
Carboxylic acid
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Ether
Organooxygen compound
Organic oxygen compound
Hydrocarbon derivative
Organic oxide
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	6.54	ALOGPS
logP	9.7	ChemAxon
logS	-5.8	ALOGPS
pKa (Strongest Acidic)	2.59	ChemAxon
pKa (Strongest Basic)	-3.7	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	105.45 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	172.97 m³·mol⁻¹	ChemAxon
Polarizability	64.37 Å³	ChemAxon
Number of Rings	2	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

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid (NP0152321)

MOL for NP0152321 (6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid)

3D MOL for NP0152321 (6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid)

3D SDF for NP0152321 (6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid)

3D-SDF for NP0152321 (6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid)

PDB for NP0152321 (6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid)

3D PDB for NP0152321 (6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid)

SMILES for NP0152321 (6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid)

INCHI for NP0152321 (6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid)

Structure for NP0152321 (6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid)

3D Structure for NP0152321 (6-[5-(3,7-dimethylocta-2,6-dien-1-yl)-4-hydroxy-3-methoxy-2-(3-methylbut-2-en-1-yl)phenoxy]-2-hydroxy-4-methoxy-3-(3-methylbut-2-en-1-yl)benzoic acid)