NP-MRD: Showing NP-Card for 4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione (NP0086405)

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Record Information

Version

2.0

Created at

2022-04-29 06:43:03 UTC

Updated at

2022-04-29 06:43:03 UTC

NP-MRD ID

NP0086405

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione

Description

4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione belongs to the class of organic compounds known as prenylquinones. These are quinones with a structure characterized by the quinone ring substituted by an prenyl side-chain. 4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, 4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione has been detected, but not quantified in, herbs and spices. 4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione is found in Thymus vulgaris . This could make 4,4'-dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 48 49  0  0  0  0  0  0  0  0999 V2000
   -0.1662   -0.4087   -2.8383 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8851   -0.3393   -1.7692 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6191    0.1130   -0.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7327    0.5629   -0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8035   -0.3387   -0.3662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0716    0.0226    0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0604   -1.0456    0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8912   -1.3942   -0.9618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6890   -1.1798    1.5362 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2458    1.2532    0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5006    1.6261    1.1042 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2068    2.1518    0.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9319    1.7815    0.3127 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1589    2.7910    0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6617    0.1171    0.4534 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4437    0.5386    1.5997 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0027   -0.3900    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0128   -0.3731    1.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3234   -0.9935    0.8599 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2776    1.0414    1.7044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2486   -0.8386   -1.0793 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4944   -1.3314   -1.4474 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2067   -0.8429   -2.1113 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4535   -1.2808   -3.2807 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3472   -0.1085   -3.7796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5041   -1.4649   -3.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0174    0.2650   -2.6258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5857   -1.2831   -0.8188 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3488   -2.0698    0.2319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5106   -1.0106   -1.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9966   -2.4823   -1.0851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9476   -1.0139   -0.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7811   -1.2076    1.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3129   -0.3912    2.2596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3191   -2.1638    2.0738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3080    1.0509    0.9464 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3575    3.1151    1.2196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2856    3.7688    0.0318 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3900    3.0219    1.5023 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0680    2.5521   -0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6218   -0.9397    2.1068 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8648   -0.3507    0.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2995   -2.0559    0.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9890   -0.9286    1.7828 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1914    1.4566    1.2145 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4974    1.0133    2.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4400    1.6901    1.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0775   -0.8301   -2.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0
  7  9  1  0
  7  6  1  0
  6 10  2  0
 10 11  1  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 13  4  1  0
  4  5  2  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2 23  1  0
 23 24  2  0
 23 21  1  0
 21 22  1  0
 21 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  1  0
 17 15  1  0
 15 16  2  0
  5  6  1  0
 15  3  1  0
  8 30  1  0
  8 31  1  0
  8 32  1  0
  7 29  1  0
  9 33  1  0
  9 34  1  0
  9 35  1  0
 11 36  1  0
 12 37  1  0
 14 38  1  0
 14 39  1  0
 14 40  1  0
  5 28  1  0
  1 25  1  0
  1 26  1  0
  1 27  1  0
 22 48  1  0
 18 41  1  0
 19 42  1  0
 19 43  1  0
 19 44  1  0
 20 45  1  0
 20 46  1  0
 20 47  1  0
M  END


  Mrv0541 05061312062D          

 24 25  0  0  0  0            999 V2000
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    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
   -0.7145    1.2375    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
   -1.4289   -2.4750    0.0000 C   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
    0.0000   -2.4750    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    0.8250    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   -1.6500    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
    0.0000   -1.6500    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    0.0000    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
   -2.1434   -1.2375    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
   -2.1434   -0.4125    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
   -2.8579   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  9  1  1  0  0  0  0
  9  2  1  0  0  0  0
 10  3  1  0  0  0  0
 10  4  1  0  0  0  0
 11  5  1  0  0  0  0
 11  7  2  0  0  0  0
 12  6  1  0  0  0  0
 13  8  1  0  0  0  0
 13  9  1  0  0  0  0
 14  8  2  0  0  0  0
 14 11  1  0  0  0  0
 15  7  1  0  0  0  0
 15 13  2  0  0  0  0
 16 10  1  0  0  0  0
 17 12  2  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 16  1  0  0  0  0
 19 17  1  0  0  0  0
 20 16  2  0  0  0  0
 20 18  1  0  0  0  0
 21 15  1  0  0  0  0
 22 18  2  0  0  0  0
 23 19  2  0  0  0  0
 24 20  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0086405

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)C1=C(O)C=C(C)C(=C1)C1=C(C)C(=O)C(O)=C(C(C)C)C1=O

> <INCHI_IDENTIFIER>
InChI=1S/C20H24O4/c1-9(2)13-8-14(11(5)7-15(13)21)17-12(6)18(22)20(24)16(10(3)4)19(17)23/h7-10,21,24H,1-6H3

> <INCHI_KEY>
LCYBFRVRIDYNSS-UHFFFAOYSA-N

> <FORMULA>
C20H24O4

> <MOLECULAR_WEIGHT>
328.4022

> <EXACT_MASS>
328.167459256

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
36.5745148178273

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-hydroxy-5-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-6-methyl-3-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione

> <ALOGPS_LOGP>
3.52

> <JCHEM_LOGP>
5.151097883666667

> <ALOGPS_LOGS>
-4.56

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.496280388226607

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.391889615736744

> <JCHEM_PKA_STRONGEST_BASIC>
-4.025315444589425

> <JCHEM_POLAR_SURFACE_AREA>
74.6

> <JCHEM_REFRACTIVITY>
96.52499999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
3

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.96e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
2-hydroxy-5-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-isopropyl-6-methylcyclohexa-2,5-diene-1,4-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-MAY-13   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-MAY-13         0                                  
HETATM    1  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.667  -4.620   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.000  -4.620   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334  -5.390   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -2.667   0.000   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       4.001  -5.390   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0      -5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0      -5.335   0.000   0.000  0.00  0.00           O+0
CONECT    1    9                                                            
CONECT    2    9                                                            
CONECT    3   10                                                            
CONECT    4   10                                                            
CONECT    5   11                                                            
CONECT    6   12                                                            
CONECT    7   11   15                                                       
CONECT    8   13   14                                                       
CONECT    9    1    2   13                                                  
CONECT   10    3    4   16                                                  
CONECT   11    5    7   14                                                  
CONECT   12    6   17   18                                                  
CONECT   13    8    9   15                                                  
CONECT   14    8   11   17                                                  
CONECT   15    7   13   21                                                  
CONECT   16   10   19   20                                                  
CONECT   17   12   14   19                                                  
CONECT   18   12   20   22                                                  
CONECT   19   16   17   23                                                  
CONECT   20   16   18   24                                                  
CONECT   21   15                                                            
CONECT   22   18                                                            
CONECT   23   19                                                            
CONECT   24   20                                                            
MASTER        0    0    0    0    0    0    0    0   24    0   50    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₀H₂₄O₄

Average Mass

328.4022 Da

Monoisotopic Mass

328.16746 Da

IUPAC Name

2-hydroxy-5-[4-hydroxy-2-methyl-5-(propan-2-yl)phenyl]-6-methyl-3-(propan-2-yl)cyclohexa-2,5-diene-1,4-dione

Traditional Name

2-hydroxy-5-(4-hydroxy-5-isopropyl-2-methylphenyl)-3-isopropyl-6-methylcyclohexa-2,5-diene-1,4-dione

CAS Registry Number

Not Available

SMILES

CC(C)C1=C(O)C=C(C)C(=C1)C1=C(C)C(=O)C(O)=C(C(C)C)C1=O

InChI Identifier

InChI=1S/C20H24O4/c1-9(2)13-8-14(11(5)7-15(13)21)17-12(6)18(22)20(24)16(10(3)4)19(17)23/h7-10,21,24H,1-6H3

InChI Key

LCYBFRVRIDYNSS-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Thymus vulgaris	Plant	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as prenylquinones. These are quinones with a structure characterized by the quinone ring substituted by an prenyl side-chain.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Quinone and hydroquinone lipids

Direct Parent

Prenylquinones

Alternative Parents

Substituents

Prenylbenzoquinone
P-cymene
Aromatic monoterpenoid
Monoterpenoid
Monocyclic monoterpenoid
Cumene
Phenylpropane
Quinone
P-benzoquinone
M-cresol
1-hydroxy-2-unsubstituted benzenoid
Toluene
Phenol
Monocyclic benzene moiety
Benzenoid
Vinylogous acid
Cyclic ketone
Ketone
Enol
Carbonyl group
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
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	3.52	ALOGPS
logP	5.15	ChemAxon
logS	-4.6	ALOGPS
pKa (Strongest Acidic)	8.39	ChemAxon
pKa (Strongest Basic)	-4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	74.6 Å²	ChemAxon
Rotatable Bond Count	3	ChemAxon
Refractivity	96.52 m³·mol⁻¹	ChemAxon
Polarizability	36.57 Å³	ChemAxon
Number of Rings	2	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	Yes	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0040760

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB020576

KNApSAcK ID

Not Available

Chemspider ID

30777508

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

Showing NP-Card for 4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione (NP0086405)

MOL for NP0086405 (4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione)

3D MOL for NP0086405 (4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione)

3D SDF for NP0086405 (4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione)

3D-SDF for NP0086405 (4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione)

PDB for NP0086405 (4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione)

3D PDB for NP0086405 (4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione)

SMILES for NP0086405 (4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione)

INCHI for NP0086405 (4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione)

Structure for NP0086405 (4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione)

3D Structure for NP0086405 (4,4'-Dihydroxy-5,5'-diisopropyl-2,2'-dimethyl-3,6-biphenyldione)