NP-MRD: Showing NP-Card for divinylchlorophyllide a (NP0339895)

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Record Information

Version

2.0

Created at

2024-09-12 00:06:01 UTC

Updated at

2024-09-12 00:06:01 UTC

NP-MRD ID

NP0339895

Secondary Accession Numbers

None

Natural Product Identification

Common Name

divinylchlorophyllide a

Description

Based on a literature review very few articles have been published on divinylchlorophyllide a.

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 05272302382D          

 45 51  0  0  0  0            999 V2000
    4.5617   -0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7868   -0.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404   -0.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6946   -1.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1959   -1.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8698   -1.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1434   -1.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3521   -2.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2499   -1.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450   -1.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5040   -0.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0607    0.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8416    0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3763   -0.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4142    0.9463    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9220   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4295   -2.3908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7108   -1.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5179   -1.1731    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8939   -1.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7032   -2.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0188   -3.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5214   -2.7380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9294   -0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7525   -0.2235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3764    0.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2890    0.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8922    1.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4819    1.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.4297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2676    0.0531    0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0
    1.6057   -0.3235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2674    0.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0342    0.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2456    1.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2360    2.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8893    3.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4485    2.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2155    3.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    4.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0286    2.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4640    1.4228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8199    1.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6234   -0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  7  6  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  2  0  0  0  0
  8 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
  3 34  2  0  0  0  0
 35 34  1  4  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 39 42  1  0  0  0  0
 42 43  2  0  0  0  0
 36 43  1  0  0  0  0
 44 42  1  4  0  0  0
 30 44  2  0  0  0  0
  6 33  1  0  0  0  0
 31 45  1  0  0  0  0
 27 45  1  0  0  0  0
 19 45  2  0  0  0  0
M  CHG  2  16  -1  20  -1
M  END


  Mrv2104 05272302382D          

 45 51  0  0  0  0            999 V2000
    4.5617   -0.4326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7868   -0.0740    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9404   -0.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6946   -1.0954    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1959   -1.7999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8698   -1.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1434   -1.8938    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3521   -2.1268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3425   -1.3020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2499   -1.2240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450   -1.0561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5040   -0.2136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0607    0.5106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8416    0.2893    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3763   -0.4900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4142    0.9463    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9220   -1.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4295   -2.3908    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7108   -1.0028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5179   -1.1731    0.0000 C   0  5  0  0  0  0  0  0  0  0  0  0
   -2.8939   -1.9678    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7032   -2.2793    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0188   -3.0697    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5214   -2.7380    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9294   -0.4582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7525   -0.2235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3764    0.1541    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2890    0.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8922    1.5826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4819    1.1447    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0704    0.4297    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2676    0.0531    0.0000 Mg  0  0  0  0  0  0  0  0  0  0  0  0
    1.6057   -0.3235    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.2674    0.1692    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0342    0.9605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2456    1.6868    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2360    2.5117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8893    3.0749    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4485    2.7575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2155    3.5985    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5678    4.3741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0286    2.0844    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4640    1.4228    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8199    1.8514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6234   -0.1826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  7  6  1  4  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 11 17  1  0  0  0  0
 17 18  2  0  0  0  0
  8 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  2  0  0  0  0
 20 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
  3 34  2  0  0  0  0
 35 34  1  4  0  0  0
 35 36  2  0  0  0  0
 36 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
 39 42  1  0  0  0  0
 42 43  2  0  0  0  0
 36 43  1  0  0  0  0
 44 42  1  4  0  0  0
 30 44  2  0  0  0  0
  6 33  1  0  0  0  0
 31 45  1  0  0  0  0
 27 45  1  0  0  0  0
 19 45  2  0  0  0  0
M  CHG  2  16  -1  20  -1
M  END
> <DATABASE_ID>
NP0339895

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC(=O)[C-]1C(=O)C2=C(C)C3=CC4=NC(=CC5=C(C=C)C(C)=C6C=C7N=C(C(CCC([O-])=O)C7C)C1=C2N3[Mg]N56)C(C)=C4C=C

> <INCHI_IDENTIFIER>
InChI=1/C35H33N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,17,21H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q-1;+2/p-3

> <INCHI_KEY>
UNSKJTNUDHVNJT-UHFFFAOYNA-K

> <FORMULA>
C35H30MgN4O5

> <MOLECULAR_WEIGHT>
610.954

> <EXACT_MASS>
610.20775894

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
75

> <JCHEM_AVERAGE_POLARIZABILITY>
68.05028837985829

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
-2

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
8-(2-carboxylatoethyl)-14,19-diethenyl-5-(methoxycarbonyl)-9,13,18,25-tetramethyl-4-oxo-1,24,26,27-tetraaza-23-magnesaheptacyclo[10.10.2.1^{3,22}.1^{7,10}.1^{17,20}.0^{2,6}.0^{15,24}]heptacosa-2(6),3(25),7(27),10,12,14,16,18,20(26),21-decaen-5-ide

> <JCHEM_LOGP>
4.774948156244726

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
11.70989928267725

> <JCHEM_PKA_STRONGEST_ACIDIC>
3.6436095935385913

> <JCHEM_PKA_STRONGEST_BASIC>
4.447378697440226

> <JCHEM_POLAR_SURFACE_AREA>
119.14

> <JCHEM_REFRACTIVITY>
178.446

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
8-(2-carboxylatoethyl)-14,19-diethenyl-5-(methoxycarbonyl)-9,13,18,25-tetramethyl-4-oxo-1,24,26,27-tetraaza-23-magnesaheptacyclo[10.10.2.1^{3,22}.1^{7,10}.1^{17,20}.0^{2,6}.0^{15,24}]heptacosa-2(6),3(25),7(27),10,12,14,16,18,20(26),21-decaen-5-ide

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-MAY-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-23         0                                  
HETATM    1  C   UNK     0       8.515  -0.807   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       7.069  -0.138   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.489  -0.575   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.030  -2.045   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       5.966  -3.360   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.490  -2.063   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.134  -3.535   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       0.657  -3.970   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       0.639  -2.430   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       2.333  -2.285   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      -0.831  -1.971   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.941  -0.399   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -0.113   0.953   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.571   0.540   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       0.702  -0.915   0.000  0.00  0.00           O+0
HETATM   16  O   UNK     0       2.640   1.766   0.000  0.00  0.00           O-1
HETATM   17  C   UNK     0      -1.721  -3.228   0.000  0.00  0.00           C+0
HETATM   18  N   UNK     0      -0.802  -4.463   0.000  0.00  0.00           N+0
HETATM   19  C   UNK     0      -3.193  -1.872   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.700  -2.190   0.000  0.00  0.00           C-1
HETATM   21  C   UNK     0      -5.402  -3.673   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      -6.913  -4.255   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      -7.502  -5.730   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0      -4.707  -5.111   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0      -5.468  -0.855   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -7.005  -0.417   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -4.436   0.288   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.273   1.819   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      -5.399   2.954   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -2.766   2.137   0.000  0.00  0.00           C+0
HETATM   31  N   UNK     0      -1.998   0.802   0.000  0.00  0.00           N+0
HETATM   32 Mg   UNK     0       0.499   0.099   0.000  0.00  0.00          Mg+0
HETATM   33  N   UNK     0       2.997  -0.604   0.000  0.00  0.00           N+0
HETATM   34  C   UNK     0       4.233   0.316   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       3.797   1.793   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.325   3.149   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       2.307   4.689   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       3.527   5.740   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       0.837   5.147   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       0.402   6.717   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       1.060   8.165   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      -0.053   3.891   0.000  0.00  0.00           C+0
HETATM   43  N   UNK     0       0.866   2.656   0.000  0.00  0.00           N+0
HETATM   44  C   UNK     0      -1.531   3.456   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      -3.030  -0.341   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   34                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7   33                                                  
CONECT    7    6    8                                                       
CONECT    8    7    9   18                                                  
CONECT    9    8   10   11                                                  
CONECT   10    9                                                            
CONECT   11    9   12   17                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14                                                       
CONECT   14   13   15   16                                                  
CONECT   15   14                                                            
CONECT   16   14                                                            
CONECT   17   11   18   19                                                  
CONECT   18   17    8                                                       
CONECT   19   17   20   45                                                  
CONECT   20   19   21   25                                                  
CONECT   21   20   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   21                                                            
CONECT   25   20   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   45                                                  
CONECT   28   27   29   30                                                  
CONECT   29   28                                                            
CONECT   30   28   31   44                                                  
CONECT   31   30   32   45                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34    6                                                  
CONECT   34   33    3   35                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   43                                                  
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40   42                                                  
CONECT   40   39   41                                                       
CONECT   41   40                                                            
CONECT   42   39   43   44                                                  
CONECT   43   42   36                                                       
CONECT   44   42   30                                                       
CONECT   45   31   27   19                                                  
MASTER        0    0    0    0    0    0    0    0   45    0  102    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₅H₃₀MgN₄O₅

Average Mass

610.9540 Da

Monoisotopic Mass

610.20776 Da

IUPAC Name

8-(2-carboxylatoethyl)-14,19-diethenyl-5-(methoxycarbonyl)-9,13,18,25-tetramethyl-4-oxo-1,24,26,27-tetraaza-23-magnesaheptacyclo[10.10.2.1^{3,22}.1^{7,10}.1^{17,20}.0^{2,6}.0^{15,24}]heptacosa-2(6),3(25),7(27),10,12,14,16,18,20(26),21-decaen-5-ide

Traditional Name

CAS Registry Number

Not Available

SMILES

COC(=O)[C-]1C(=O)C2=C(C)C3=CC4=NC(=CC5=C(C=C)C(C)=C6C=C7N=C(C(CCC([O-])=O)C7C)C1=C2N3[Mg]N56)C(C)=C4C=C

InChI Identifier

InChI=1/C35H33N4O5.Mg/c1-8-19-15(3)22-12-24-17(5)21(10-11-28(40)41)32(38-24)30-31(35(43)44-7)34(42)29-18(6)25(39-33(29)30)14-27-20(9-2)16(4)23(37-27)13-26(19)36-22;/h8-9,12-14,17,21H,1-2,10-11H2,3-7H3,(H3,36,37,38,39,40,41,42);/q-1;+2/p-3

InChI Key

UNSKJTNUDHVNJT-UHFFFAOYNA-K

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	4.77	ChemAxon
pKa (Strongest Acidic)	3.64	ChemAxon
pKa (Strongest Basic)	4.45	ChemAxon
Physiological Charge	-1	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	119.14 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	178.45 m³·mol⁻¹	ChemAxon
Polarizability	68.05 Å³	ChemAxon
Number of Rings	7	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

Not Available

Showing NP-Card for divinylchlorophyllide a (NP0339895)

MOL for NP0339895 (divinylchlorophyllide a)

3D MOL for NP0339895 (divinylchlorophyllide a)

3D SDF for NP0339895 (divinylchlorophyllide a)

3D-SDF for NP0339895 (divinylchlorophyllide a)

PDB for NP0339895 (divinylchlorophyllide a)

3D PDB for NP0339895 (divinylchlorophyllide a)

SMILES for NP0339895 (divinylchlorophyllide a)

INCHI for NP0339895 (divinylchlorophyllide a)

Structure for NP0339895 (divinylchlorophyllide a)

3D Structure for NP0339895 (divinylchlorophyllide a)