NP-MRD: Showing NP-Card for Sodium copper chlorophyllin (NP0338462)

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Record Information

Version

2.0

Created at

2024-09-11 15:35:15 UTC

Updated at

2024-09-11 15:35:15 UTC

NP-MRD ID

NP0338462

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Sodium copper chlorophyllin

Description

Sodium copper chlorophyllin was first documented in 2024 (PMID: 39276882). Based on a literature review a small amount of articles have been published on Sodium copper chlorophyllin (PMID: 39072923) (PMID: 38801122) (PMID: 38642544) (PMID: 38544930).

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05262318072D          

 45 48  0  0  0  0            999 V2000
   -2.9027    3.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4703    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1449    2.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7158    1.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3642    0.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7320    0.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3516   -0.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7194   -1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1676   -1.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4226   -1.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5443   -0.7752    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6993   -1.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0115   -1.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1257   -0.7607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9303   -0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2985    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8892    0.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339    2.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0114    1.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1396    0.9383    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7057    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222    1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5881    0.9519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    2.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225    2.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9891    2.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7599    2.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1425    0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9820    0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1139    0.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8058    0.0533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3114   -1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7691   -1.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512   -2.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0251   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7546   -2.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4798   -2.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -2.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5334   -3.3589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1559   -2.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5523   -1.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1910   -2.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5738    1.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4722    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5 24  2  0  0  0  0
 19 25  1  0  0  0  0
 18 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 16 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 15 33  1  0  0  0  0
 33 34  1  0  0  0  0
 13 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
  9 41  1  0  0  0  0
  8 42  1  0  0  0  0
 42 43  2  0  0  0  0
  4 44  1  0  0  0  0
M  CHG  3  11  -1  21  -1  45   2
M  END


  Mrv2104 05262318072D          

 45 48  0  0  0  0            999 V2000
   -2.9027    3.5497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4703    2.8585    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1449    2.0701    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7158    1.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3642    0.8013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7320    0.0494    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3516   -0.6383    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7194   -1.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1676   -1.9324    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4226   -1.5228    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5443   -0.7752    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   -0.6993   -1.9196    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0115   -1.5393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1257   -0.7607    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9303   -0.5809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2985    0.1134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8892    0.8296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2857    1.5817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7339    2.1240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0114    1.7432    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1396    0.9383    0.0000 N   0  5  0  0  0  0  0  0  0  0  0  0
   -0.7057    2.1114    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4222    1.7309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5881    0.9519    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.5490    2.9298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9225    2.1524    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9891    2.9645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7599    2.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1425    0.0480    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9820    0.0788    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1139    0.8983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8058    0.0533    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3114   -1.3550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7691   -1.9068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7512   -2.7310    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0251   -1.8037    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7546   -2.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4798   -2.5493    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1542   -2.0981    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5334   -3.3589    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1559   -2.7897    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5523   -1.6901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1910   -2.2551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5738    1.5089    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4722    0.0000    0.0000 Cu  0  2  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
  7 11  1  0  0  0  0
 10 12  2  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 17 21  1  0  0  0  0
 20 22  1  0  0  0  0
 22 23  2  0  0  0  0
  3 23  1  0  0  0  0
 23 24  1  0  0  0  0
  5 24  2  0  0  0  0
 19 25  1  0  0  0  0
 18 26  1  0  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 16 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  2  0  0  0  0
 30 32  1  0  0  0  0
 15 33  1  0  0  0  0
 33 34  1  0  0  0  0
 13 34  1  0  0  0  0
 34 35  1  0  0  0  0
 33 36  1  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
  9 41  1  0  0  0  0
  8 42  1  0  0  0  0
 42 43  2  0  0  0  0
  4 44  1  0  0  0  0
M  CHG  3  11  -1  21  -1  45   2
M  END
> <DATABASE_ID>
NP0338462

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[Cu++].CCC1=C(C)C2=N\C\1=C/C1=C(C)C(C(O)=O)=C([N-]1)\C(CC(O)=O)=C1/N=C(/C=C3\[N-]/C(=C\2)C(C=C)=C3C)C(C)C1CCC(O)=O

> <INCHI_IDENTIFIER>
InChI=1/C34H36N4O6.Cu/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2

> <INCHI_KEY>
ZDOYGJNADZJRFB-UHFFFAOYNA-L

> <FORMULA>
C34H34CuN4O6

> <MOLECULAR_WEIGHT>
658.214

> <EXACT_MASS>
657.177433

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
79

> <JCHEM_AVERAGE_POLARIZABILITY>
64.71462619464538

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
copper(2+) 10-carboxy-14-(2-carboxyethyl)-12-(carboxymethyl)-20-ethenyl-5-ethyl-4,9,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,16(22),17,19-decaene-21,23-diide

> <JCHEM_LOGP>
4.183645136372937

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
3.671915913341736

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.048656565661722

> <JCHEM_PKA_STRONGEST_BASIC>
5.4923665975144775

> <JCHEM_POLAR_SURFACE_AREA>
163.46

> <JCHEM_REFRACTIVITY>
167.12270000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
8

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
copper(2+) 10-carboxy-14-(2-carboxyethyl)-12-(carboxymethyl)-20-ethenyl-5-ethyl-4,9,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,16(22),17,19-decaene-21,23-diide

> <JCHEM_VEBER_RULE>
0

$$$$

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      -5.418   6.626   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.611   5.336   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -4.004   3.864   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -5.069   2.780   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -4.413   1.496   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.100   0.092   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.390  -1.191   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.076  -2.595   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -4.046  -3.607   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.656  -2.843   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0      -2.883  -1.447   0.000  0.00  0.00           N-1
HETATM   12  C   UNK     0      -1.305  -3.583   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.021  -2.873   0.000  0.00  0.00           C+0
HETATM   14  N   UNK     0       0.235  -1.420   0.000  0.00  0.00           N+0
HETATM   15  C   UNK     0       1.737  -1.084   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       2.424   0.212   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       1.660   1.549   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       2.400   2.953   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.370   3.965   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -0.021   3.254   0.000  0.00  0.00           C+0
HETATM   21  N   UNK     0       0.261   1.751   0.000  0.00  0.00           N-1
HETATM   22  C   UNK     0      -1.317   3.941   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -2.655   3.231   0.000  0.00  0.00           C+0
HETATM   24  N   UNK     0      -2.964   1.777   0.000  0.00  0.00           N+0
HETATM   25  C   UNK     0       1.025   5.469   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.589   4.018   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       3.713   5.534   0.000  0.00  0.00           O+0
HETATM   28  O   UNK     0       5.152   4.130   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0       3.999   0.090   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       5.566   0.147   0.000  0.00  0.00           C+0
HETATM   31  O   UNK     0       5.813   1.677   0.000  0.00  0.00           O+0
HETATM   32  O   UNK     0       7.104   0.099   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       2.448  -2.529   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.436  -3.559   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.402  -5.098   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       3.780  -3.367   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.142  -4.092   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       6.496  -4.759   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       7.755  -3.916   0.000  0.00  0.00           O+0
HETATM   40  O   UNK     0       6.596  -6.270   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      -4.024  -5.207   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -6.631  -3.155   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      -7.823  -4.210   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      -6.671   2.817   0.000  0.00  0.00           C+0
HETATM   45 Cu   UNK     0      12.081   0.000   0.000  0.00  0.00          Cu+2
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   23                                                  
CONECT    4    3    5   44                                                  
CONECT    5    4    6   24                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   11                                                  
CONECT    8    7    9   42                                                  
CONECT    9    8   10   41                                                  
CONECT   10    9   11   12                                                  
CONECT   11   10    7                                                       
CONECT   12   10   13                                                       
CONECT   13   12   14   34                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   33                                                  
CONECT   16   15   17   29                                                  
CONECT   17   16   18   21                                                  
CONECT   18   17   19   26                                                  
CONECT   19   18   20   25                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20   17                                                       
CONECT   22   20   23                                                       
CONECT   23   22    3   24                                                  
CONECT   24   23    5                                                       
CONECT   25   19                                                            
CONECT   26   18   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26                                                            
CONECT   29   16   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30                                                            
CONECT   33   15   34   36                                                  
CONECT   34   33   13   35                                                  
CONECT   35   34                                                            
CONECT   36   33   37                                                       
CONECT   37   36   38                                                       
CONECT   38   37   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38                                                            
CONECT   41    9                                                            
CONECT   42    8   43                                                       
CONECT   43   42                                                            
CONECT   44    4                                                            
MASTER        0    0    0    0    0    0    0    0   45    0   96    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₃₄CuN₄O₆

Average Mass

658.2140 Da

Monoisotopic Mass

657.17743 Da

IUPAC Name

copper(2+) 10-carboxy-14-(2-carboxyethyl)-12-(carboxymethyl)-20-ethenyl-5-ethyl-4,9,15,19-tetramethyl-21,22,23,24-tetraazapentacyclo[16.2.1.1^{3,6}.1^{8,11}.1^{13,16}]tetracosa-1,3(24),4,6,8,10,12,16(22),17,19-decaene-21,23-diide

Traditional Name

CAS Registry Number

Not Available

SMILES

[Cu++].CCC1=C(C)C2=N\C\1=C/C1=C(C)C(C(O)=O)=C([N-]1)\C(CC(O)=O)=C1/N=C(/C=C3\[N-]/C(=C\2)C(C=C)=C3C)C(C)C1CCC(O)=O

InChI Identifier

InChI=1/C34H36N4O6.Cu/c1-7-19-15(3)23-12-25-17(5)21(9-10-29(39)40)32(37-25)22(11-30(41)42)33-31(34(43)44)18(6)26(38-33)14-28-20(8-2)16(4)24(36-28)13-27(19)35-23;/h7,12-14,17,21H,1,8-11H2,2-6H3,(H5,35,36,37,38,39,40,41,42,43,44);/q;+2/p-2

InChI Key

ZDOYGJNADZJRFB-UHFFFAOYNA-L

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Classification

Not classified

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	4.18	ChemAxon
pKa (Strongest Acidic)	3.05	ChemAxon
pKa (Strongest Basic)	5.49	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	163.46 Å²	ChemAxon
Rotatable Bond Count	8	ChemAxon
Refractivity	167.12 m³·mol⁻¹	ChemAxon
Polarizability	64.71 Å³	ChemAxon
Number of Rings	5	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	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

Mishra M, Gupta D, Preeti, Deb D: Mitigating CYP3A4-mediated aflatoxin toxicity with algal-derived Sodium Copper Chlorophyllin: Production and In-silico insights. Int J Biol Macromol. 2024 Sep 12;280(Pt 1):135594. doi: 10.1016/j.ijbiomac.2024.135594. [PubMed:39276882 ]
Shinde VR, Khatun S, Thanekar AM, Bhattacharjee B, Rengan AK: Sodium copper chlorophyllin-loaded chitosan nanoparticle-based photodynamic therapy for B16 melanoma cancer cells. Chem Biol Drug Des. 2024 Aug;104(2):e14594. doi: 10.1111/cbdd.14594. [PubMed:39072923 ]
Liang J, Ling J, Sun D, Wu G, Ouyang XK, Wang N, Yang G: Dextran-Based Antibacterial Hydrogel Dressings for Accelerating Infected Wound Healing by Reducing Inflammation Levels. Adv Healthc Mater. 2024 Sep;13(22):e2400494. doi: 10.1002/adhm.202400494. Epub 2024 Jun 3. [PubMed:38801122 ]
Jin X, Zheng M: Orange carbon dots based smart sensing platforms for rapid, visual, quantitative identification of sodium copper chlorophyllin. Talanta. 2024 Aug 1;275:126090. doi: 10.1016/j.talanta.2024.126090. Epub 2024 Apr 10. [PubMed:38642544 ]
Zeng Q, Peng Y, Zhou X, Zhang J, Yang Y, Xu X, Guan B, Zhang Y, Hu X, Chen X: Label-free Raman imaging for screening of anti-inflammatory function food. Food Chem X. 2024 Mar 16;22:101297. doi: 10.1016/j.fochx.2024.101297. eCollection 2024 Jun 30. [PubMed:38544930 ]

Showing NP-Card for Sodium copper chlorophyllin (NP0338462)

MOL for NP0338462 (Sodium copper chlorophyllin)

3D MOL for NP0338462 (Sodium copper chlorophyllin)

3D SDF for NP0338462 (Sodium copper chlorophyllin)

3D-SDF for NP0338462 (Sodium copper chlorophyllin)

PDB for NP0338462 (Sodium copper chlorophyllin)

3D PDB for NP0338462 (Sodium copper chlorophyllin)

SMILES for NP0338462 (Sodium copper chlorophyllin)

INCHI for NP0338462 (Sodium copper chlorophyllin)

Structure for NP0338462 (Sodium copper chlorophyllin)

3D Structure for NP0338462 (Sodium copper chlorophyllin)