NP-MRD: Showing NP-Card for 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one (NP0305502)

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Record Information

Version

2.0

Created at

2022-09-10 21:23:45 UTC

Updated at

2022-09-10 21:23:45 UTC

NP-MRD ID

NP0305502

Secondary Accession Numbers

None

Natural Product Identification

Common Name

5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one

Description

(S)-[8]-Gingerol, also known as (8)-gingerol, belongs to the class of organic compounds known as gingerols. Gingerols are compounds containing a gingerol moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by a 5-hydroxy-alkane-3-one (S)-[8]-Gingerol is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, (S)-[8]-Gingerol is found, on average, in the highest concentration within gingers (S)-[8]-Gingerol has also been detected, but not quantified in, herbs and spices. 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one is found in Zingiber officinale. This could make (S)-[8]-gingerol a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 53 53  0  0  0  0  0  0  0  0999 V2000
    6.6276    2.3448    1.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4426    2.3242    0.1611 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2838    0.9100   -0.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0653   -0.0112    0.8088 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8976   -1.4452    0.3580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7333   -1.6321   -0.5577 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4204   -1.2510    0.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3414   -1.5006   -1.0098 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.3591   -2.8515   -1.3544 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0090   -1.1256   -0.4621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0311   -1.3716   -1.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7174   -1.8134   -2.5865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4722   -1.0900   -1.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7009   -0.5534    0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1530   -0.3078    0.3088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9818   -1.3037    0.7918 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3413   -1.0946    0.9475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9316    0.1097    0.6306 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2917    0.3472    0.7767 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1087    1.1139    0.1458 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6661    2.3198   -0.1771 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8407    3.3529   -0.6724 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7518    0.8940   -0.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2708    1.4610    0.8940 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1957    3.2889    0.9127 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2527    2.2740    2.1249 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5623    3.0455   -0.6786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5207    2.6109    0.7036 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3800    0.9241   -1.0149 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1238    0.6110   -0.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9526    0.0163    1.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2118    0.3621    1.3795 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9166   -2.1337    1.2142 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8218   -1.6840   -0.2406 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9088   -1.0199   -1.4651 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7034   -2.6923   -0.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3872   -0.2117    0.3961 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1790   -1.9232    0.8996 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5183   -0.8922   -1.9180 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8154   -3.3399   -0.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0311   -0.0495   -0.1710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2476   -1.6774    0.4741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0590   -2.0256   -1.3409 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8617   -0.3895   -2.0073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3220   -1.2997    0.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1013    0.3790    0.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6060   -2.2673    1.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9817   -1.9016    1.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8856   -0.3944    1.1324 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4181    4.2588   -0.9549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1651    3.6522    0.1777 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1936    2.9866   -1.4798 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0840    1.6666   -0.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 23  2  0
 23 20  1  0
 20 21  1  0
 21 22  1  0
 20 18  2  0
 18 19  1  0
 18 17  1  0
 17 16  2  0
 16 15  1  0
  1 24  1  0
  1 25  1  0
  1 26  1  0
  2 27  1  0
  2 28  1  0
  3 29  1  0
  3 30  1  0
  4 31  1  0
  4 32  1  0
  5 33  1  0
  5 34  1  0
  6 35  1  0
  6 36  1  0
  7 37  1  0
  7 38  1  0
  8 39  1  6
  9 40  1  0
 10 41  1  0
 10 42  1  0
 13 43  1  0
 13 44  1  0
 14 45  1  0
 14 46  1  0
 23 53  1  0
 22 50  1  0
 22 51  1  0
 22 52  1  0
 19 49  1  0
 17 48  1  0
 16 47  1  0
M  END


  Mrv0541 05061307142D          

 23 23  0  0  0  0            999 V2000
   -8.5737    0.8250    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
   -7.8592    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4302    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868    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
    0.0000    0.0000    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   -0.4125    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
   -2.8579    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -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
    1.4289    0.0000    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
   -3.5724    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434    2.0625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
 11  9  1  0  0  0  0
 12 10  2  0  0  0  0
 15  9  1  0  0  0  0
 15 10  1  0  0  0  0
 15 13  2  0  0  0  0
 16  8  1  0  0  0  0
 16 14  1  0  0  0  0
 17 11  1  0  0  0  0
 17 14  1  0  0  0  0
 18 12  1  0  0  0  0
 19 13  1  0  0  0  0
 19 18  2  0  0  0  0
 20 16  1  0  0  0  0
 21 17  2  0  0  0  0
 22 18  1  0  0  0  0
 23  2  1  0  0  0  0
 23 19  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0305502

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCCCCCCC(O)CC(=O)CCC1=CC(OC)=C(O)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3

> <INCHI_KEY>
BCIWKKMTBRYQJU-UHFFFAOYSA-N

> <FORMULA>
C19H30O4

> <MOLECULAR_WEIGHT>
322.4391

> <EXACT_MASS>
322.214409448

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_AVERAGE_POLARIZABILITY>
37.885749900504564

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one

> <ALOGPS_LOGP>
4.33

> <JCHEM_LOGP>
4.505657140666667

> <ALOGPS_LOGS>
-3.87

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
15.081609827901392

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.945873119685892

> <JCHEM_PKA_STRONGEST_BASIC>
-2.761472257074292

> <JCHEM_POLAR_SURFACE_AREA>
66.76

> <JCHEM_REFRACTIVITY>
92.31119999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.33e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one

> <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     -16.004   1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0     -14.671   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0     -13.337   1.540   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0     -12.003   2.310   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0     -10.669   1.540   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -9.336   2.310   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -8.002   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       0.000   0.000   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.667   1.540   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.000   1.540   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      -6.668   3.850   0.000  0.00  0.00           O+0
HETATM   21  O   UNK     0      -4.001   3.850   0.000  0.00  0.00           O+0
HETATM   22  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
CONECT    1    3                                                            
CONECT    2   23                                                            
CONECT    3    1    4                                                       
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7   16                                                       
CONECT    9   11   15                                                       
CONECT   10   12   15                                                       
CONECT   11    9   17                                                       
CONECT   12   10   18                                                       
CONECT   13   15   19                                                       
CONECT   14   16   17                                                       
CONECT   15    9   10   13                                                  
CONECT   16    8   14   20                                                  
CONECT   17   11   14   21                                                  
CONECT   18   12   19   22                                                  
CONECT   19   13   18   23                                                  
CONECT   20   16                                                            
CONECT   21   17                                                            
CONECT   22   18                                                            
CONECT   23    2   19                                                       
MASTER        0    0    0    0    0    0    0    0   23    0   46    0
END

View in JSmol

Synonyms

Value	Source
(8)-Gingerol	HMDB
(S)-(+)-[8]-Gingerol	HMDB
(S)-8-Gingerol	HMDB

Chemical Formula

C₁₉H₃₀O₄

Average Mass

322.4391 Da

Monoisotopic Mass

322.21441 Da

IUPAC Name

5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one

Traditional Name

5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one

CAS Registry Number

Not Available

SMILES

CCCCCCCC(O)CC(=O)CCC1=CC(OC)=C(O)C=C1

InChI Identifier

InChI=1S/C19H30O4/c1-3-4-5-6-7-8-16(20)14-17(21)11-9-15-10-12-18(22)19(13-15)23-2/h10,12-13,16,20,22H,3-9,11,14H2,1-2H3

InChI Key

BCIWKKMTBRYQJU-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
Zingiber officinale	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as gingerols. Gingerols are compounds containing a gingerol moiety, which is structurally characterized by a 4-hydroxy-3-methoxyphenyl group substituted at the C6 carbon atom by a 5-hydroxy-alkane-3-one.

Kingdom

Super Class

Class

Sub Class

Direct Parent

Alternative Parents

Substituents

Gingerol
Fatty alcohol
Phenoxy compound
Anisole
Methoxybenzene
Phenol ether
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Monocyclic benzene moiety
Beta-hydroxy ketone
Fatty acyl
Ketone
Secondary alcohol
Ether
Organic oxide
Hydrocarbon derivative
Carbonyl group
Organic oxygen compound
Alcohol
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	4.33	ALOGPS
logP	4.51	ChemAxon
logS	-3.9	ALOGPS
pKa (Strongest Acidic)	9.95	ChemAxon
pKa (Strongest Basic)	-2.8	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	66.76 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	92.31 m³·mol⁻¹	ChemAxon
Polarizability	37.89 Å³	ChemAxon
Number of Rings	1	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

HMDB0033615

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

KNApSAcK ID

Chemspider ID

KEGG Compound ID

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

5275725

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one (NP0305502)

MOL for NP0305502 (5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one)

3D MOL for NP0305502 (5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one)

3D SDF for NP0305502 (5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one)

3D-SDF for NP0305502 (5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one)

PDB for NP0305502 (5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one)

3D PDB for NP0305502 (5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one)

SMILES for NP0305502 (5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one)

INCHI for NP0305502 (5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one)

Structure for NP0305502 (5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one)

3D Structure for NP0305502 (5-hydroxy-1-(4-hydroxy-3-methoxyphenyl)dodecan-3-one)