NP-MRD: Showing NP-Card for 3-Hexaprenyl-4-hydroxybenzoic acid (NP0087644)

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Record Information

Version

2.0

Created at

2022-05-11 16:55:39 UTC

Updated at

2022-05-11 16:55:39 UTC

NP-MRD ID

NP0087644

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3-Hexaprenyl-4-hydroxybenzoic acid

Description

3-Hexaprenyl-4-hydroxybenzoic acid belongs to the class of organic compounds known as polyprenylphenols. Polyprenylphenols are compounds containing a polyisoprene chain attached to a phenol group. 3-Hexaprenyl-4-hydroxybenzoic acid is a very hydrophobic molecule, practically insoluble (in water), and relatively neutral. 3-Hexaprenyl-4-hydroxybenzoic acid exists in all eukaryotes, ranging from yeast to humans. 3-Hexaprenyl-4-hydroxybenzoic acid is an intermediate in ubiquinone biosynthesis and is produced from 4-hydroxybenzoate by the enzyme 4-hydroxybenzoate hexaprenyltransferase. In humans, 3-hexaprenyl-4-hydroxybenzoic acid is involved in ubiquinone biosynthesis. Outside of the human body, 3-Hexaprenyl-4-hydroxybenzoic acid has been detected, but not quantified in, several different foods, such as sapodilla, soft-necked garlics, breadnut tree seeds, anises, and tartary buckwheats. This could make 3-hexaprenyl-4-hydroxybenzoic acid a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02231220522D          

 40 40  0  0  0  0            999 V2000
   21.4095  -13.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    9.0355  -14.7625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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  1 28  1  0  0  0  0
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  7 33  1  0  0  0  0
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M  END

     RDKit          3D

 94 94  0  0  0  0  0  0  0  0999 V2000
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M  END


  Mrv0541 02231220522D          

 40 40  0  0  0  0            999 V2000
   21.4095  -13.3278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6463  -12.6120    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   15.6334  -10.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1586  -11.9030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6848  -13.3328    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4089  -11.8987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1714  -11.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9333  -10.4708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6953   -9.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4577  -10.4726    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2210  -11.1873    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9841  -11.9024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7472  -12.6170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5098  -13.3322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2723  -14.0473    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0349  -13.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2099  -13.3341    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9725  -11.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5599  -11.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2099  -11.9049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8214  -12.6127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3458  -11.1854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8702   -9.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3960  -11.1879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9223  -12.6176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4474  -14.0479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7974  -12.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7974  -11.1904    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9725  -12.6195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2099  -10.4757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5599  -13.3341    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.0349  -10.4757    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7974   -9.7618    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1 28  1  0  0  0  0
  2 28  1  0  0  0  0
  3 29  1  0  0  0  0
  4 30  1  0  0  0  0
  5 31  1  0  0  0  0
  6 32  1  0  0  0  0
  7 33  1  0  0  0  0
  8 13  1  0  0  0  0
  8 14  1  0  0  0  0
  9 15  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 10 18  1  0  0  0  0
 11 19  1  0  0  0  0
 11 20  1  0  0  0  0
 12 21  1  0  0  0  0
 12 22  1  0  0  0  0
 13 28  2  0  0  0  0
 14 29  1  0  0  0  0
 15 29  2  0  0  0  0
 16 30  1  0  0  0  0
 17 30  2  0  0  0  0
 18 31  1  0  0  0  0
 19 31  2  0  0  0  0
 20 32  1  0  0  0  0
 21 32  2  0  0  0  0
 22 33  1  0  0  0  0
 23 33  2  0  0  0  0
 23 24  1  0  0  0  0
 24 34  1  0  0  0  0
 25 35  2  0  0  0  0
 25 26  1  0  0  0  0
 26 36  2  0  0  0  0
 27 34  2  0  0  0  0
 27 35  1  0  0  0  0
 34 36  1  0  0  0  0
 35 37  1  0  0  0  0
 36 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37 40  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0087644

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=CC=C1O)C(O)=O

> <INCHI_IDENTIFIER>
InChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+

> <INCHI_KEY>
LKMQQQABIGIHGL-LAAQXVIISA-N

> <FORMULA>
C37H54O3

> <MOLECULAR_WEIGHT>
546.8229

> <EXACT_MASS>
546.407295594

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_AVERAGE_POLARIZABILITY>
68.66726060572614

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxybenzoic acid

> <ALOGPS_LOGP>
8.74

> <JCHEM_LOGP>
11.354401776666666

> <ALOGPS_LOGS>
-6.19

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
9.475161886890266

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.347914248684361

> <JCHEM_PKA_STRONGEST_BASIC>
-6.114865026961756

> <JCHEM_POLAR_SURFACE_AREA>
57.53

> <JCHEM_REFRACTIVITY>
178.5509

> <JCHEM_ROTATABLE_BOND_COUNT>
18

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.57e-04 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3-hexaprenyl-4-hydroxybenzoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 23-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   23-FEB-12         0                                  
HETATM    1  C   UNK     0      39.964 -24.879   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      42.273 -23.542   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      35.343 -22.213   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      30.720 -16.881   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      26.103 -19.550   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      21.484 -22.220   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      16.866 -27.557   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      38.423 -22.212   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      33.802 -19.547   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      29.182 -19.549   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      24.563 -22.219   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      19.945 -24.888   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      39.963 -22.211   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      37.653 -20.878   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      35.342 -19.545   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      33.031 -18.214   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      30.721 -19.549   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      28.413 -20.883   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      26.104 -22.218   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      23.795 -23.552   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      21.485 -24.887   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      19.175 -26.222   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      16.865 -24.890   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      15.325 -24.890   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      13.015 -20.889   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      12.245 -22.222   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      15.325 -22.222   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      40.733 -23.544   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      36.112 -20.879   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      31.491 -18.214   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      26.873 -20.884   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      22.255 -23.553   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      17.635 -26.223   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      14.555 -23.556   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      14.555 -20.889   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      13.015 -23.556   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      15.325 -19.555   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      12.245 -24.890   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      16.865 -19.555   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0      14.555 -18.222   0.000  0.00  0.00           O+0
CONECT    1   28                                                            
CONECT    2   28                                                            
CONECT    3   29                                                            
CONECT    4   30                                                            
CONECT    5   31                                                            
CONECT    6   32                                                            
CONECT    7   33                                                            
CONECT    8   13   14                                                       
CONECT    9   15   16                                                       
CONECT   10   17   18                                                       
CONECT   11   19   20                                                       
CONECT   12   21   22                                                       
CONECT   13    8   28                                                       
CONECT   14    8   29                                                       
CONECT   15    9   29                                                       
CONECT   16    9   30                                                       
CONECT   17   10   30                                                       
CONECT   18   10   31                                                       
CONECT   19   11   31                                                       
CONECT   20   11   32                                                       
CONECT   21   12   32                                                       
CONECT   22   12   33                                                       
CONECT   23   33   24                                                       
CONECT   24   23   34                                                       
CONECT   25   35   26                                                       
CONECT   26   25   36                                                       
CONECT   27   34   35                                                       
CONECT   28    1    2   13                                                  
CONECT   29    3   14   15                                                  
CONECT   30    4   16   17                                                  
CONECT   31    5   18   19                                                  
CONECT   32    6   20   21                                                  
CONECT   33    7   22   23                                                  
CONECT   34   24   27   36                                                  
CONECT   35   25   27   37                                                  
CONECT   36   26   34   38                                                  
CONECT   37   35   39   40                                                  
CONECT   38   36                                                            
CONECT   39   37                                                            
CONECT   40   37                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   80    0
END

View in JSmol

Synonyms

Value	Source
(all-e)-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoic acid	ChEBI
all-trans-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoic acid	ChEBI
(all-e)-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoate	Generator
all-trans-3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxybenzoate	Generator
3-Hexaprenyl-4-hydroxybenzoate	Generator
3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxy-benzoate	HMDB
3-(3,7,11,15,19,23-Hexamethyl-2,6,10,14,18,22-tetracosahexaenyl)-4-hydroxy-benzoic acid	HMDB

Chemical Formula

C₃₇H₅₄O₃

Average Mass

546.8229 Da

Monoisotopic Mass

546.40730 Da

IUPAC Name

3-[(2E,6E,10E,14E,18E)-3,7,11,15,19,23-hexamethyltetracosa-2,6,10,14,18,22-hexaen-1-yl]-4-hydroxybenzoic acid

Traditional Name

3-hexaprenyl-4-hydroxybenzoate

CAS Registry Number

Not Available

SMILES

CC(C)=CCC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC\C(C)=C\CC1=CC(=CC=C1O)C(O)=O

InChI Identifier

InChI=1S/C37H54O3/c1-28(2)13-8-14-29(3)15-9-16-30(4)17-10-18-31(5)19-11-20-32(6)21-12-22-33(7)23-24-34-27-35(37(39)40)25-26-36(34)38/h13,15,17,19,21,23,25-27,38H,8-12,14,16,18,20,22,24H2,1-7H3,(H,39,40)/b29-15+,30-17+,31-19+,32-21+,33-23+

InChI Key

LKMQQQABIGIHGL-LAAQXVIISA-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
Anas platyrhynchos	FooDB	FooDB
Anatidae	FooDB	FooDB
Anser anser	FooDB	FooDB
Bison bison	FooDB	FooDB
Bos taurus	FooDB	FooDB
Bos taurus X Bison bison	FooDB	FooDB
Bubalus bubalis	FooDB	FooDB
Capra aegagrus hircus	FooDB	FooDB
Cervidae	FooDB	FooDB
Cervus canadensis	FooDB	FooDB
Columba	FooDB	FooDB
Columbidae	FooDB	FooDB
Dromaius novaehollandiae	FooDB	FooDB
Equus caballus	FooDB	FooDB
Gallus gallus	FooDB	FooDB
Lagopus muta	FooDB	FooDB
Leporidae	FooDB	FooDB
Lepus timidus	FooDB	FooDB
Melanitta fusca	FooDB	FooDB
Meleagris gallopavo	FooDB	FooDB
Numida meleagris	FooDB	FooDB
Odocoileus	FooDB	FooDB
Oryctolagus	FooDB	FooDB
Ovis aries	FooDB	FooDB
Phasianidae	FooDB	FooDB
Phasianus colchicus	FooDB	FooDB
Struthio camelus	FooDB	FooDB
Sus scrofa	FooDB	FooDB
Sus scrofa domestica	FooDB	FooDB

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as polyprenylphenols. Polyprenylphenols are compounds containing a polyisoprene chain attached to a phenol group.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Polyprenylphenols

Direct Parent

Polyprenylphenols

Alternative Parents

Substituents

Polyprenylphenol
Sesterterpenoid
Hydroxybenzoic acid
Benzoic acid or derivatives
Benzoic acid
Benzoyl
1-hydroxy-2-unsubstituted benzenoid
Phenol
Monocyclic benzene moiety
Benzenoid
Carboxylic acid
Carboxylic acid derivative
Monocarboxylic acid or derivatives
Hydrocarbon derivative
Organic oxide
Organic oxygen compound
Organooxygen compound
Aromatic homomonocyclic compound

Molecular Framework

Aromatic homomonocyclic compounds

External Descriptors

monohydroxybenzoic acid (CHEBI:31116 )
Ubiquinones (LMPR02010045 )

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	8.74	ALOGPS
logP	11.35	ChemAxon
logS	-6.2	ALOGPS
pKa (Strongest Acidic)	4.35	ChemAxon
pKa (Strongest Basic)	-6.1	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	3	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	57.53 Å²	ChemAxon
Rotatable Bond Count	18	ChemAxon
Refractivity	178.55 m³·mol⁻¹	ChemAxon
Polarizability	68.67 Å³	ChemAxon
Number of Rings	1	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

HMDB0006816

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB030426

KNApSAcK ID

Not Available

Chemspider ID

10128306

KEGG Compound ID

C13425

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

11954011

PDB ID

Not Available

ChEBI ID

31116

Good Scents ID

Not Available

References

General References

Not Available

Showing NP-Card for 3-Hexaprenyl-4-hydroxybenzoic acid (NP0087644)

MOL for NP0087644 (3-Hexaprenyl-4-hydroxybenzoic acid)

3D MOL for NP0087644 (3-Hexaprenyl-4-hydroxybenzoic acid)

3D SDF for NP0087644 (3-Hexaprenyl-4-hydroxybenzoic acid)

3D-SDF for NP0087644 (3-Hexaprenyl-4-hydroxybenzoic acid)

PDB for NP0087644 (3-Hexaprenyl-4-hydroxybenzoic acid)

3D PDB for NP0087644 (3-Hexaprenyl-4-hydroxybenzoic acid)

SMILES for NP0087644 (3-Hexaprenyl-4-hydroxybenzoic acid)

INCHI for NP0087644 (3-Hexaprenyl-4-hydroxybenzoic acid)

Structure for NP0087644 (3-Hexaprenyl-4-hydroxybenzoic acid)

3D Structure for NP0087644 (3-Hexaprenyl-4-hydroxybenzoic acid)