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Showing NP-Card for Orange B (NP0336709)

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Record Information
Version2.0
Created at2024-09-11 07:30:42 UTC
Updated at2024-09-11 07:30:42 UTC
NP-MRD IDNP0336709
Secondary Accession NumbersNone
Natural Product Identification
Common NameOrange B
DescriptionOrange B belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring. Orange B was first documented in 2024 (PMID: 38611489). Based on a literature review very few articles have been published on Orange B.
Structure
Thumb
MOLSDFPDBSMILESInChI

MOL for NP0336709 (Orange B)


  Mrv2104 05262310022D          

 37 40  0  0  0  0            999 V2000
    1.5492   -4.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8848   -4.0144    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    2.0625    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
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0783   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2648   -0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7064   -1.7646    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
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6914   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8779   -0.9576    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
    2.1434    2.0625    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
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109   -1.7224    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
    3.0408   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5955   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8613   -3.0882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4471   -0.4477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9175   -1.4873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4076    0.0820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7053   -3.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -0.7027    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  2  0  0  0  0
 16 15  1  0  0  0  0
 17 11  2  0  0  0  0
 17 15  1  0  0  0  0
 18 12  2  0  0  0  0
 18 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 17  1  0  0  0  0
 24 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 19  2  0  0  0  0
 26 13  1  0  0  0  0
 26 21  1  0  0  0  0
 26 25  1  0  0  0  0
 27 20  2  0  0  0  0
 28 22  2  0  0  0  0
 35  2  1  0  0  0  0
 35 22  1  0  0  0  0
 36 14  1  0  0  0  0
 36 29  1  0  0  0  0
 36 30  2  0  0  0  0
 36 31  2  0  0  0  0
 37 18  1  0  0  0  0
 37 32  1  0  0  0  0
 37 33  2  0  0  0  0
 37 34  2  0  0  0  0
M  END
Download

3D MOL for NP0336709 (Orange B)

Download
3D SDF for NP0336709 (Orange B)

  Mrv2104 05262310022D          

 37 40  0  0  0  0            999 V2000
    1.5492   -4.7681    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8848   -4.0144    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    2.0625    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
    1.4289    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5198   -0.6605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0783   -2.0195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2648   -0.4056    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7064   -1.7646    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
    3.5724    2.0625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6914   -1.4675    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8779   -0.9576    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
    2.1434    2.0625    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
    2.8579    2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5559   -2.5070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8109   -1.7224    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
    3.0408   -3.1745    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7309   -2.5070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4760   -1.7224    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5955   -1.4675    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8613   -3.0882    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4471   -0.4477    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9175   -1.4873    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4076    0.0820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6829    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0329    3.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7053   -3.9282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6625   -0.7027    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    3.3000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  4  3  2  0  0  0  0
  5  3  1  0  0  0  0
  6  4  1  0  0  0  0
  9  7  1  0  0  0  0
 10  8  2  0  0  0  0
 12 11  1  0  0  0  0
 13  7  2  0  0  0  0
 13  8  1  0  0  0  0
 14  9  2  0  0  0  0
 14 10  1  0  0  0  0
 15  5  2  0  0  0  0
 16  6  2  0  0  0  0
 16 15  1  0  0  0  0
 17 11  2  0  0  0  0
 17 15  1  0  0  0  0
 18 12  2  0  0  0  0
 18 16  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 19  1  0  0  0  0
 23 17  1  0  0  0  0
 24 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 19  2  0  0  0  0
 26 13  1  0  0  0  0
 26 21  1  0  0  0  0
 26 25  1  0  0  0  0
 27 20  2  0  0  0  0
 28 22  2  0  0  0  0
 35  2  1  0  0  0  0
 35 22  1  0  0  0  0
 36 14  1  0  0  0  0
 36 29  1  0  0  0  0
 36 30  2  0  0  0  0
 36 31  2  0  0  0  0
 37 18  1  0  0  0  0
 37 32  1  0  0  0  0
 37 33  2  0  0  0  0
 37 34  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0336709

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CCOC(=O)C1=NN(C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C1=O)C1=CC=C(C=C1)S(O)(=O)=O

> <INCHI_IDENTIFIER>
InChI=1/C22H18N4O9S2/c1-2-35-22(28)19-20(27)21(26(25-19)13-7-9-14(10-8-13)36(29,30)31)24-23-17-11-12-18(37(32,33)34)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3,(H,29,30,31)(H,32,33,34)/b24-23+

> <INCHI_KEY>
QUMAZTILKPUCPP-WCWDXBQENA-N

> <FORMULA>
C22H18N4O9S2

> <MOLECULAR_WEIGHT>
546.53

> <EXACT_MASS>
546.051520524

> <JCHEM_ACCEPTOR_COUNT>
12

> <JCHEM_ATOM_COUNT>
55

> <JCHEM_AVERAGE_POLARIZABILITY>
52.25024877411069

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-[(1E)-2-[3-(ethoxycarbonyl)-4-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-5-yl]diazen-1-yl]naphthalene-1-sulfonic acid

> <JCHEM_LOGP>
0.6636995587789526

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-3

> <JCHEM_PKA>
-1.9362427621881009

> <JCHEM_PKA_STRONGEST_ACIDIC>
-2.568833509957651

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3737308114696334

> <JCHEM_POLAR_SURFACE_AREA>
192.42999999999998

> <JCHEM_REFRACTIVITY>
141.05479999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
4-[(1E)-2-[5-(ethoxycarbonyl)-4-oxo-2-(4-sulfophenyl)-3H-pyrazol-3-yl]diazen-1-yl]naphthalene-1-sulfonic acid

> <JCHEM_VEBER_RULE>
0

$$$$

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3D-SDF for NP0336709 (Orange B)
Download
PDB for NP0336709 (Orange B)
HEADER    PROTEIN                                 26-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   26-MAY-23         0                                  
HETATM    1  C   UNK     0       2.892  -8.900   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       3.518  -7.494   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.334   3.850   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       2.667   1.540   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       0.970  -1.233   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.146  -3.770   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.494  -0.757   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.319  -3.294   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       6.668   2.310   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       6.668   3.850   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       1.291  -2.739   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -1.639  -1.788   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       4.001   2.310   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.001   3.850   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       5.335   1.540   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       5.335   4.620   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.771  -4.680   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       5.247  -3.215   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       5.676  -5.926   0.000  0.00  0.00           C+0
HETATM   23  N   UNK     0       5.335   0.000   0.000  0.00  0.00           N+0
HETATM   24  N   UNK     0       4.001  -0.770   0.000  0.00  0.00           N+0
HETATM   25  N   UNK     0       3.231  -4.680   0.000  0.00  0.00           N+0
HETATM   26  N   UNK     0       2.755  -3.215   0.000  0.00  0.00           N+0
HETATM   27  O   UNK     0       6.712  -2.739   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       7.208  -5.765   0.000  0.00  0.00           O+0
HETATM   29  O   UNK     0      -4.568  -0.836   0.000  0.00  0.00           O+0
HETATM   30  O   UNK     0      -3.579  -2.776   0.000  0.00  0.00           O+0
HETATM   31  O   UNK     0      -2.628   0.153   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       5.335   7.700   0.000  0.00  0.00           O+0
HETATM   33  O   UNK     0       6.875   6.160   0.000  0.00  0.00           O+0
HETATM   34  O   UNK     0       3.795   6.160   0.000  0.00  0.00           O+0
HETATM   35  O   UNK     0       5.050  -7.333   0.000  0.00  0.00           O+0
HETATM   36  S   UNK     0      -3.103  -1.312   0.000  0.00  0.00           S+0
HETATM   37  S   UNK     0       5.335   6.160   0.000  0.00  0.00           S+0
CONECT    1    2                                                            
CONECT    2    1   35                                                       
CONECT    3    4    5                                                       
CONECT    4    3    6                                                       
CONECT    5    3   15                                                       
CONECT    6    4   16                                                       
CONECT    7    9   13                                                       
CONECT    8   10   13                                                       
CONECT    9    7   14                                                       
CONECT   10    8   14                                                       
CONECT   11   12   17                                                       
CONECT   12   11   18                                                       
CONECT   13    7    8   26                                                  
CONECT   14    9   10   36                                                  
CONECT   15    5   16   17                                                  
CONECT   16    6   15   18                                                  
CONECT   17   11   15   23                                                  
CONECT   18   12   16   37                                                  
CONECT   19   20   22   25                                                  
CONECT   20   19   21   27                                                  
CONECT   21   20   24   26                                                  
CONECT   22   19   28   35                                                  
CONECT   23   17   24                                                       
CONECT   24   21   23                                                       
CONECT   25   19   26                                                       
CONECT   26   13   21   25                                                  
CONECT   27   20                                                            
CONECT   28   22                                                            
CONECT   29   36                                                            
CONECT   30   36                                                            
CONECT   31   36                                                            
CONECT   32   37                                                            
CONECT   33   37                                                            
CONECT   34   37                                                            
CONECT   35    2   22                                                       
CONECT   36   14   29   30   31                                             
CONECT   37   18   32   33   34                                             
MASTER        0    0    0    0    0    0    0    0   37    0   80    0
END

Download
3D PDB for NP0336709 (Orange B)
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SMILES for NP0336709 (Orange B)
CCOC(=O)C1=NN(C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C1=O)C1=CC=C(C=C1)S(O)(=O)=O
Download
INCHI for NP0336709 (Orange B)
InChI=1/C22H18N4O9S2/c1-2-35-22(28)19-20(27)21(26(25-19)13-7-9-14(10-8-13)36(29,30)31)24-23-17-11-12-18(37(32,33)34)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3,(H,29,30,31)(H,32,33,34)/b24-23+
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View in JSmol
SynonymsNot Available
Chemical FormulaC22H18N4O9S2
Average Mass546.5300 Da
Monoisotopic Mass546.05152 Da
IUPAC Name4-[(1E)-2-[3-(ethoxycarbonyl)-4-oxo-1-(4-sulfophenyl)-4,5-dihydro-1H-pyrazol-5-yl]diazen-1-yl]naphthalene-1-sulfonic acid
Traditional Name4-[(1E)-2-[5-(ethoxycarbonyl)-4-oxo-2-(4-sulfophenyl)-3H-pyrazol-3-yl]diazen-1-yl]naphthalene-1-sulfonic acid
CAS Registry NumberNot Available
SMILES
CCOC(=O)C1=NN(C(\N=N\C2=CC=C(C3=CC=CC=C23)S(O)(=O)=O)C1=O)C1=CC=C(C=C1)S(O)(=O)=O
InChI Identifier
InChI=1/C22H18N4O9S2/c1-2-35-22(28)19-20(27)21(26(25-19)13-7-9-14(10-8-13)36(29,30)31)24-23-17-11-12-18(37(32,33)34)16-6-4-3-5-15(16)17/h3-12,21H,2H2,1H3,(H,29,30,31)(H,32,33,34)/b24-23+
InChI KeyQUMAZTILKPUCPP-WCWDXBQENA-N
Experimental Spectra
Not Available
Predicted Spectra
Not Available
Chemical Shift Submissions
Not Available
Species
Species of OriginNot Available
Chemical Taxonomy
DescriptionThis compound belongs to the class of organic compounds known as 1-naphthalene sulfonates. These are organic aromatic compounds that contain a naphthalene moiety that carries a sulfonic acid group at the 1-position. Naphthalene is a bicyclic compound that is made up of two fused benzene ring.
KingdomOrganic compounds  
Super ClassBenzenoids  
ClassNaphthalenes  
Sub ClassNaphthalene sulfonic acids and derivatives  
Direct Parent1-naphthalene sulfonates  
Alternative Parents
Substituents
  • 1-naphthalene sulfonate
    • 

  • 1-naphthalene sulfonic acid or derivatives
    • 

  • Benzenesulfonate
    • 

  • Arylsulfonic acid or derivatives
    • 

  • Benzenesulfonyl group
    • 

  • 1-sulfo,2-unsubstituted aromatic compound
    • 

  • Monocyclic benzene moiety
    • 

  • Pyrazoline
    • 

  • Organic sulfonic acid or derivatives
    • 

  • Organosulfonic acid or derivatives
    • 

  • Organosulfonic acid
    • 

  • Sulfonyl
    • 

  • Azo compound
    • 

  • Carboxylic acid ester
    • 

  • Ketone
    • 

  • N-alkylated hydrazone
    • 

  • Cyclic ketone
    • 

  • Azacycle
    • 

  • Propargyl-type 1,3-dipolar organic compound
    • 

  • Organic 1,3-dipolar compound
    • 

  • Organoheterocyclic compound
    • 

  • Carboxylic acid derivative
    • 

  • Hydrazone
    • 

  • Monocarboxylic acid or derivatives
    • 

  • Carbonyl group
    • 

  • Organonitrogen compound
    • 

  • Organooxygen compound
    • 

  • Organic nitrogen compound
    • 

  • Organosulfur compound
    • 

  • Organopnictogen compound
    • 

  • Organic oxide
    • 

  • Hydrocarbon derivative
    • 

  • Organic oxygen compound
    • 

  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic compounds
External DescriptorsNot Available
Physical Properties
StateNot Available
Experimental Properties
PropertyValueReference
Melting PointNot AvailableNot Available
Boiling PointNot AvailableNot Available
Water SolubilityNot AvailableNot Available
LogPNot AvailableNot Available
Predicted Properties
PropertyValueSource
logP0.66ChemAxon
pKa (Strongest Acidic)-2.6ChemAxon
pKa (Strongest Basic)-3.4ChemAxon
Physiological Charge-3ChemAxon
Hydrogen Acceptor Count12ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area192.43 ŲChemAxon
Rotatable Bond Count8ChemAxon
Refractivity141.05 m³·mol⁻¹ChemAxon
Polarizability52.25 ųChemAxon
Number of Rings4ChemAxon
BioavailabilityNoChemAxon
Rule of FiveNoChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
HMDB IDNot Available
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FoodDB IDNot Available
KNApSAcK IDNot Available
Chemspider IDNot Available
KEGG Compound IDNot Available
BioCyc IDNot Available
BiGG IDNot Available
Wikipedia LinkOrange B  
METLIN IDNot Available
PubChem CompoundNot Available
PDB IDNot Available
ChEBI IDNot Available
Good Scents IDNot Available
References
General References
  1. Laoung-On J, Ounjaijean S, Sudwan P, Boonyapranai K: Phytochemical Screening, Antioxidant Effect and Sperm Quality of the Bomba ceiba Stamen Extracts on Charolais Cattle Sperm Induced by Ferrous Sulfate. Plants (Basel). 2024 Mar 26;13(7):960. doi: 10.3390/plants13070960. [PubMed:38611489  ]