NP-MRD: Showing NP-Card for articulin J (NP0333266)

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Record Information

Version

2.0

Created at

2024-05-16 15:10:58 UTC

Updated at

2024-11-01 00:35:52 UTC

NP-MRD ID

NP0333266

Natural Product DOI

https://doi.org/10.57994/2603

Secondary Accession Numbers

None

Natural Product Identification

Common Name

articulin J

Description

Articulin J belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Based on a literature review very few articles have been published on articulin J.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01282317472D          

 40 45  0  0  0  0            999 V2000
    2.6961   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4914   -1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4914   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3164   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4914   -4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -5.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -2.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -2.2539    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  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  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
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 19 30  1  0  0  0  0
 10 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 33 34  1  0  0  0  0
  8 35  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
 38 39  2  0  0  0  0
  2 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END


  Mrv2104 01282317472D          

 40 45  0  0  0  0            999 V2000
    2.6961   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4914   -1.5395    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4914   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3164   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4914   -4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -5.1118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -2.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -2.9684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -2.9684    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039   -3.6829    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -4.3974    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539   -0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0789   -0.8250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8414   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2539    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0164   -0.1105    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6039    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2211    0.6039    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6336   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4586   -1.5395    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -2.2539    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  2  0  0  0  0
  3  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  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
 14 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 16 19  1  0  0  0  0
 19 20  2  0  0  0  0
 11 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 23 24  2  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  2  0  0  0  0
 21 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 19 30  1  0  0  0  0
 10 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 33 34  1  0  0  0  0
  8 35  2  0  0  0  0
 33 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
  6 37  1  0  0  0  0
  7 38  1  0  0  0  0
 38 39  2  0  0  0  0
  2 39  1  0  0  0  0
 39 40  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0333266

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC1=C(C=C)C2=C(C=C1O)C1=C(CC2)C(C)=C(O)C(=C1)C1=C(O)C(C)=C(C=C)C2=C1C1=CC=C(O)C(C)=C1C=C2

> <INCHI_IDENTIFIER>
InChI=1S/C36H32O4/c1-7-21-17(3)32(38)16-29-25(21)11-9-24-20(6)35(39)30(15-28(24)29)34-33-26(22(8-2)19(5)36(34)40)12-10-23-18(4)31(37)14-13-27(23)33/h7-8,10,12-16,37-40H,1-2,9,11H2,3-6H3

> <INCHI_KEY>
LUTJMXFUCGYNDC-UHFFFAOYSA-N

> <FORMULA>
C36H32O4

> <MOLECULAR_WEIGHT>
528.648

> <EXACT_MASS>
528.23005951

> <JCHEM_ACCEPTOR_COUNT>
4

> <JCHEM_ATOM_COUNT>
72

> <JCHEM_AVERAGE_POLARIZABILITY>
61.24393261916671

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
1',8-diethenyl-1,2',7,8'-tetramethyl-9,10-dihydro-[3,4'-biphenanthrene]-2,3',6,7'-tetrol

> <JCHEM_LOGP>
10.122595336

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.804699972375492

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.969726059439914

> <JCHEM_PKA_STRONGEST_BASIC>
-5.48102094653918

> <JCHEM_POLAR_SURFACE_AREA>
80.92

> <JCHEM_REFRACTIVITY>
164.972

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
1',8-diethenyl-1,2',7,8'-tetramethyl-9,10-dihydro-[3,4'-biphenanthrene]-2,3',6,7'-tetrol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 28-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-JAN-23         0                                  
HETATM    1  C   UNK     0       5.033  -1.540   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.493  -1.540   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       2.723  -0.206   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.493   1.127   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.723   2.461   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.183  -0.206   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       0.413  -1.540   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.127  -1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.897  -2.874   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.437  -2.874   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -4.207  -4.207   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -5.747  -4.207   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -6.517  -2.874   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -6.517  -5.541   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -8.057  -5.541   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -5.747  -6.875   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -6.517  -8.208   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.747  -9.542   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -4.207  -6.875   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -3.437  -5.541   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -1.897  -5.541   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -1.127  -4.207   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       0.413  -4.207   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       1.183  -5.541   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       2.723  -5.541   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       0.413  -6.875   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.183  -8.208   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -1.127  -6.875   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -1.897  -8.208   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.437  -8.208   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      -4.207  -1.540   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      -5.747  -1.540   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      -3.437  -0.206   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      -4.207   1.127   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      -1.897  -0.206   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      -1.127   1.127   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       0.413   1.127   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       1.183  -2.874   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       2.723  -2.874   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       3.493  -4.207   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   39                                                  
CONECT    3    2    4    6                                                  
CONECT    4    3    5                                                       
CONECT    5    4                                                            
CONECT    6    3    7   37                                                  
CONECT    7    6    8   38                                                  
CONECT    8    7    9   35                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   31                                                  
CONECT   11   10   12   20                                                  
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14   17   19                                                  
CONECT   17   16   18                                                       
CONECT   18   17                                                            
CONECT   19   16   20   30                                                  
CONECT   20   19   11   21                                                  
CONECT   21   20   22   28                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   26                                                  
CONECT   25   24                                                            
CONECT   26   24   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   21   29                                                  
CONECT   29   28   30                                                       
CONECT   30   29   19                                                       
CONECT   31   10   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35    8   33   36                                                  
CONECT   36   35   37                                                       
CONECT   37   36    6                                                       
CONECT   38    7   39                                                       
CONECT   39   38    2   40                                                  
CONECT   40   39                                                            
MASTER        0    0    0    0    0    0    0    0   40    0   90    0
END

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Synonyms

Not Available

Chemical Formula

C₃₆H₃₂O₄

Average Mass

528.6480 Da

Monoisotopic Mass

528.23006 Da

IUPAC Name

1',8-diethenyl-1,2',7,8'-tetramethyl-9,10-dihydro-[3,4'-biphenanthrene]-2,3',6,7'-tetrol

Traditional Name

1',8-diethenyl-1,2',7,8'-tetramethyl-9,10-dihydro-[3,4'-biphenanthrene]-2,3',6,7'-tetrol

CAS Registry Number

Not Available

SMILES

CC1=C(C=C)C2=C(C=C1O)C1=C(CC2)C(C)=C(O)C(=C1)C1=C(O)C(C)=C(C=C)C2=C1C1=CC=C(O)C(C)=C1C=C2

InChI Identifier

InChI=1S/C36H32O4/c1-7-21-17(3)32(38)16-29-25(21)11-9-24-20(6)35(39)30(15-28(24)29)34-33-26(22(8-2)19(5)36(34)40)12-10-23-18(4)31(37)14-13-27(23)33/h7-8,10,12-16,37-40H,1-2,9,11H2,3-6H3

InChI Key

LUTJMXFUCGYNDC-UHFFFAOYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
NOESY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	vasas.andrea@szte.hu	University of Szeged	Andrea Vasas	2024-05-16	View Spectrum
HMBC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	vasas.andrea@szte.hu	University of Szeged	Andrea Vasas	2024-05-16	View Spectrum
COSY NMR	[¹H, ¹H] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	vasas.andrea@szte.hu	University of Szeged	Andrea Vasas	2024-05-16	View Spectrum
HSQC NMR	[¹H, ¹³C] NMR Spectrum (2D, 600 MHz, CD3OD, experimental)	vasas.andrea@szte.hu	University of Szeged	Andrea Vasas	2024-05-16	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, CD3OD, experimental)	vasas.andrea@szte.hu	University of Szeged	Andrea Vasas	2024-05-16	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CD3OD, experimental)	vasas.andrea@szte.hu	University of Szeged	Andrea Vasas	2024-05-16	View Spectrum

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Juncus articulatus		Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Phenanthrol
Phenanthrene
Hydrophenanthrene
2-naphthol
Naphthalene
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Organic oxygen compound
Hydrocarbon derivative
Organooxygen compound
Aromatic homopolycyclic compound

Molecular Framework

Aromatic homopolycyclic 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	10.12	ChemAxon
pKa (Strongest Acidic)	8.97	ChemAxon
pKa (Strongest Basic)	-5.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	4	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	80.92 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	164.97 m³·mol⁻¹	ChemAxon
Polarizability	61.24 Å³	ChemAxon
Number of Rings	6	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

Not Available

Showing NP-Card for articulin J (NP0333266)

MOL for NP0333266 (articulin J)

3D MOL for NP0333266 (articulin J)

3D SDF for NP0333266 (articulin J)

3D-SDF for NP0333266 (articulin J)

PDB for NP0333266 (articulin J)

3D PDB for NP0333266 (articulin J)

SMILES for NP0333266 (articulin J)

INCHI for NP0333266 (articulin J)

Structure for NP0333266 (articulin J)

3D Structure for NP0333266 (articulin J)