NP-MRD: Showing NP-Card for 12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol (NP0288716)

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Record Information

Version

2.0

Created at

2022-09-09 18:32:23 UTC

Updated at

2022-09-09 18:32:23 UTC

NP-MRD ID

NP0288716

Secondary Accession Numbers

None

Natural Product Identification

Common Name

12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol

Description

12'-Hydroxy-7'-multijuguinol belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group. 12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol is found in Senna multijuga. 12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol was first documented in 2012 (PMID: 22304303). Based on a literature review very few articles have been published on 12'-hydroxy-7'-multijuguinol.

Structure

MOL 3D MOL SDF PDB SMILES InChI

     RDKit          3D

 53 53  0  0  0  0  0  0  0  0999 V2000
    7.5024    0.4861   -0.4700 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1400    0.3479    0.1537 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2760    1.3536   -0.0089 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0299    1.2470    0.5514 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0591    2.3655    0.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2597    2.1796   -0.8674 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4288    0.9370   -0.8446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4070    1.0244    0.2537 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4514   -0.2296    0.3332 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1800   -0.4319   -0.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0419   -1.6722   -0.8559 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7030   -1.8708   -2.0454 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9212   -1.7272    0.3396 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9188   -0.6383    0.5043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8661   -0.6000   -0.6434 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9195    0.4793   -0.5050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7648    0.3042    0.7234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4484   -0.9001    0.7436 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7113    0.1269    1.2527 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6122   -0.9353    1.4289 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8519   -0.7954    0.8541 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8375   -1.7805    0.9566 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9313   -0.5168   -0.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3504    0.9888   -1.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1737    1.0804    0.1640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6349    3.3338    0.3524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4318    2.3761    1.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5599    3.0608   -0.9637 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9036    2.2417   -1.7753 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0700    0.0475   -0.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8905    0.8188   -1.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8186    1.1932    1.2486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3223    1.8628    0.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1765   -0.0517    1.1459 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1847   -1.1156    0.5726 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7305    0.4623   -1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4669   -0.6532   -1.7986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2988   -2.5202   -0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1186   -2.7599   -2.1182 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5071   -2.6924    0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3124   -1.8782    1.2648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4370   -0.8239    1.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4442    0.3720    0.6611 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2667   -0.3145   -1.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3180   -1.5863   -0.7856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5378    0.4812   -1.4244 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4285    1.4716   -0.4358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1194    0.4416    1.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5291    1.1088    0.7108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5786   -1.2697    1.6438 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7556    0.0132    1.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3454   -1.8109    1.9841 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6409   -2.6316    1.4708 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  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
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
  4 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 21  2  1  0
  1 23  1  0
  1 24  1  0
  1 25  1  0
  5 26  1  0
  5 27  1  0
  6 28  1  0
  6 29  1  0
  7 30  1  0
  7 31  1  0
  8 32  1  0
  8 33  1  0
  9 34  1  0
  9 35  1  0
 10 36  1  0
 10 37  1  0
 11 38  1  1
 12 39  1  0
 13 40  1  0
 13 41  1  0
 14 42  1  0
 14 43  1  0
 15 44  1  0
 15 45  1  0
 16 46  1  0
 16 47  1  0
 17 48  1  0
 17 49  1  0
 18 50  1  0
 19 51  1  0
 20 52  1  0
 22 53  1  0
M  END


  Mrv1652309092220322D          

 22 22  0  0  0  0            999 V2000
   -4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579    2.4750    0.0000 N   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
   -0.7145    2.0625    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    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
    2.1434    2.0625    0.0000 C   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
    2.8579    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447    2.4750    0.0000 O   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
   -2.8579    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
   -4.2868    0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
  3  4  1  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  1  0  0  0  0
  8  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  1  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  1  0  0  0  0
  4 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
  2 21  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0288716

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=NC(CCCCCCC(O)CCCCCO)=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C18H31NO3/c1-15-18(22)13-12-16(19-15)9-5-2-3-6-10-17(21)11-7-4-8-14-20/h12-13,17,20-22H,2-11,14H2,1H3

> <INCHI_KEY>
NVCDYIVRRNILOL-UHFFFAOYSA-N

> <FORMULA>
C18H31NO3

> <MOLECULAR_WEIGHT>
309.45

> <EXACT_MASS>
309.230393862

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
53

> <JCHEM_AVERAGE_POLARIZABILITY>
38.31466457756082

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol

> <JCHEM_LOGP>
3.037573758666667

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
1

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
16.843942400495763

> <JCHEM_PKA_STRONGEST_ACIDIC>
10.060688574786216

> <JCHEM_PKA_STRONGEST_BASIC>
6.449324760093906

> <JCHEM_POLAR_SURFACE_AREA>
73.58000000000001

> <JCHEM_REFRACTIVITY>
89.3001

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
1

> <JCHEM_TRADITIONAL_IUPAC>
12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -8.002   4.620   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -6.668   3.850   0.000  0.00  0.00           C+0
HETATM    3  N   UNK     0      -5.335   4.620   0.000  0.00  0.00           N+0
HETATM    4  C   UNK     0      -4.001   3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -2.667   4.620   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -1.334   3.850   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.000   4.620   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       2.667   4.620   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       5.335   6.160   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       8.002   4.620   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       9.336   3.850   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      10.669   4.620   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      12.003   3.850   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      13.337   4.620   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      -4.001   2.310   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -5.335   1.540   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -6.668   2.310   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -8.002   1.540   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   21                                                  
CONECT    3    2    4                                                       
CONECT    4    3    5   19                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10                                                       
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                                                       
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19    4   20                                                       
CONECT   20   19   21                                                       
CONECT   21   20    2   22                                                  
CONECT   22   21                                                            
MASTER        0    0    0    0    0    0    0    0   22    0   44    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₁₈H₃₁NO₃

Average Mass

309.4500 Da

Monoisotopic Mass

309.23039 Da

IUPAC Name

12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol

Traditional Name

12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol

CAS Registry Number

Not Available

SMILES

CC1=NC(CCCCCCC(O)CCCCCO)=CC=C1O

InChI Identifier

InChI=1S/C18H31NO3/c1-15-18(22)13-12-16(19-15)9-5-2-3-6-10-17(21)11-7-4-8-14-20/h12-13,17,20-22H,2-11,14H2,1H3

InChI Key

NVCDYIVRRNILOL-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
Senna multijuga	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as methylpyridines. These are organic compounds containing a pyridine ring substituted at one or more positions by a methyl group.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Pyridines and derivatives

Sub Class

Methylpyridines

Direct Parent

Methylpyridines

Alternative Parents

Substituents

Methylpyridine
Hydroxypyridine
Heteroaromatic compound
Secondary alcohol
Azacycle
Organic nitrogen compound
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Organooxygen compound
Organonitrogen compound
Alcohol
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	3.04	ChemAxon
pKa (Strongest Acidic)	10.06	ChemAxon
pKa (Strongest Basic)	6.45	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	73.58 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	89.3 m³·mol⁻¹	ChemAxon
Polarizability	38.31 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

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

28508734

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

57382622

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Francisco W, Pivatto M, Danuello A, Regasini LO, Baccini LR, Young MC, Lopes NP, Lopes JL, Bolzani VS: Pyridine alkaloids from Senna multijuga as acetylcholinesterase inhibitors. J Nat Prod. 2012 Mar 23;75(3):408-13. doi: 10.1021/np200814j. Epub 2012 Feb 3. [PubMed:22304303 ]
LOTUS database [Link]

Showing NP-Card for 12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol (NP0288716)

MOL for NP0288716 (12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol)

3D MOL for NP0288716 (12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol)

3D SDF for NP0288716 (12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol)

3D-SDF for NP0288716 (12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol)

PDB for NP0288716 (12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol)

3D PDB for NP0288716 (12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol)

SMILES for NP0288716 (12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol)

INCHI for NP0288716 (12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol)

Structure for NP0288716 (12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol)

3D Structure for NP0288716 (12-(5-hydroxy-6-methylpyridin-2-yl)dodecane-1,6-diol)