NP-MRD: Showing NP-Card for Carbazomycin J (NP0332931)

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Record Information

Version

2.0

Created at

2024-05-02 04:35:59 UTC

Updated at

2024-09-03 04:20:42 UTC

NP-MRD ID

NP0332931

Natural Product DOI

https://doi.org/10.57994/2212

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Carbazomycin J

Description

Not Available

Structure

MOL SDF PDB SMILES InChI


  Mrv2104 01142307122D          

 43 47  0  0  1  0            999 V2000
    5.0645   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.8137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633    1.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1956   -1.7698    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0025   -1.5983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5546   -2.2114    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3615   -2.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2996   -2.9960    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8517   -3.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5967   -4.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927   -3.1676    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2377   -3.9522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308   -4.1237    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8787   -3.5106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -3.6821    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5197   -3.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8168   -4.4668    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0098   -4.6383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2451   -5.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3688   -5.0799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1139   -5.8645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -6.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1758   -4.9083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7278   -5.5214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4729   -6.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9406   -2.5545    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1337   -2.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5816   -2.1129    0.0000 C   0  0  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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
  4 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  6  0  0  0
 23 21  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  6  0  0  0
 28 27  1  6  0  0  0
 28 29  1  0  0  0  0
 30 29  1  0  0  0  0
 30 31  1  1  0  0  0
 32 30  1  0  0  0  0
 32 33  1  6  0  0  0
 33 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  1  0  0  0
 36 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 28  1  0  0  0  0
 38 39  1  1  0  0  0
 39 40  1  0  0  0  0
 26 41  1  0  0  0  0
 41 19  1  0  0  0  0
 41 42  1  6  0  0  0
 42 43  1  0  0  0  0
M  END


  Mrv2104 01142307122D          

 43 47  0  0  1  0            999 V2000
    5.0645   -0.6422    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2575   -0.8137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7054   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8985   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3464    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6014    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4084    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6633    1.9817    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9604    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    0.7556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9339    1.5105    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2665    1.0256    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5214    0.2410    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9694   -0.3721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1624   -0.2006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0925    0.5840    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4595    1.1971    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6435   -1.1567    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1956   -1.7698    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.0025   -1.5983    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5546   -2.2114    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3615   -2.0399    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2996   -2.9960    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8517   -3.6091    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5967   -4.3937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4927   -3.1676    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2377   -3.9522    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308   -4.1237    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.8787   -3.5106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0717   -3.6821    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5197   -3.0690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8168   -4.4668    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0098   -4.6383    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2451   -5.4229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3688   -5.0799    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1139   -5.8645    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3069   -6.0360    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1758   -4.9083    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.7278   -5.5214    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4729   -6.3060    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9406   -2.5545    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1337   -2.7260    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5816   -2.1129    0.0000 C   0  0  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  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  3  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
  5 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 12 17  1  0  0  0  0
  4 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 21 20  1  0  0  0  0
 21 22  1  6  0  0  0
 23 21  1  0  0  0  0
 23 24  1  1  0  0  0
 24 25  1  0  0  0  0
 23 26  1  0  0  0  0
 26 27  1  6  0  0  0
 28 27  1  6  0  0  0
 28 29  1  0  0  0  0
 30 29  1  0  0  0  0
 30 31  1  1  0  0  0
 32 30  1  0  0  0  0
 32 33  1  6  0  0  0
 33 34  1  0  0  0  0
 32 35  1  0  0  0  0
 35 36  1  1  0  0  0
 36 37  1  0  0  0  0
 35 38  1  0  0  0  0
 38 28  1  0  0  0  0
 38 39  1  1  0  0  0
 39 40  1  0  0  0  0
 26 41  1  0  0  0  0
 41 19  1  0  0  0  0
 41 42  1  6  0  0  0
 42 43  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0332931

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@@H]1[C@@H](C)O[C@H](O[C@H]2[C@H](OC)[C@@H](C)O[C@H](OC3=C(OC)C(C)=C(C)C4=C3C3=C(N4)C=CC=C3)[C@H]2OC)[C@@H](OC)[C@H]1OC

> <INCHI_IDENTIFIER>
InChI=1S/C32H45NO10/c1-15-16(2)23(34-5)26(21-19-13-11-12-14-20(19)33-22(15)21)42-32-30(39-10)28(25(36-7)18(4)41-32)43-31-29(38-9)27(37-8)24(35-6)17(3)40-31/h11-14,17-18,24-25,27-33H,1-10H3/t17-,18-,24-,25-,27+,28+,29+,30+,31-,32-/m1/s1

> <INCHI_KEY>
VSSOVOQTGFNYTB-STQIHJLYSA-N

> <FORMULA>
C32H45NO10

> <MOLECULAR_WEIGHT>
603.709

> <EXACT_MASS>
603.304346653

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
88

> <JCHEM_AVERAGE_POLARIZABILITY>
64.84158925571094

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-{[(2R,3S,4S,5R,6R)-3,5-dimethoxy-6-methyl-4-{[(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-methoxy-1,2-dimethyl-9H-carbazole

> <JCHEM_LOGP>
4.927040593333334

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
15.531952119010976

> <JCHEM_PKA_STRONGEST_BASIC>
-3.3721261488217213

> <JCHEM_POLAR_SURFACE_AREA>
108.09000000000003

> <JCHEM_REFRACTIVITY>
157.22499999999997

> <JCHEM_ROTATABLE_BOND_COUNT>
10

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
4-{[(2R,3S,4S,5R,6R)-3,5-dimethoxy-6-methyl-4-{[(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-methoxy-1,2-dimethyl-9H-carbazole

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 14-JAN-23   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   14-JAN-23         0                                  
HETATM    1  C   UNK     0       9.454  -1.199   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       7.947  -1.519   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.917  -0.374   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       5.410  -0.695   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.380   0.450   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       4.856   1.914   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       6.362   2.235   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.838   3.699   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       7.393   1.090   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       8.899   1.410   0.000  0.00  0.00           C+0
HETATM   11  N   UNK     0       3.610   2.820   0.000  0.00  0.00           N+0
HETATM   12  C   UNK     0       2.364   1.914   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       2.840   0.450   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       1.810  -0.695   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.303  -0.374   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.173   1.090   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       0.858   2.235   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.935  -2.159   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       5.965  -3.304   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       7.471  -2.984   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       8.502  -4.128   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.008  -3.808   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0       8.026  -5.593   0.000  0.00  0.00           C+0
HETATM   24  O   UNK     0       9.056  -6.737   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       8.581  -8.202   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       6.520  -5.913   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0       6.044  -7.377   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0       4.537  -7.698   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0       3.507  -6.553   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0       2.001  -6.873   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.970  -5.729   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       1.525  -8.338   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0       0.018  -8.658   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0      -0.458 -10.123   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       2.555  -9.482   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       2.079 -10.947   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       0.573 -11.267   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.062  -9.162   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0       5.092 -10.307   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       4.616 -11.771   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       5.489  -4.768   0.000  0.00  0.00           C+0
HETATM   42  O   UNK     0       3.983  -5.089   0.000  0.00  0.00           O+0
HETATM   43  C   UNK     0       2.952  -3.944   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    9                                                  
CONECT    4    3    5   18                                                  
CONECT    5    4    6   13                                                  
CONECT    6    5    7   11                                                  
CONECT    7    6    8    9                                                  
CONECT    8    7                                                            
CONECT    9    7    3   10                                                  
CONECT   10    9                                                            
CONECT   11    6   12                                                       
CONECT   12   11   13   17                                                  
CONECT   13   12    5   14                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16                                                       
CONECT   16   15   17                                                       
CONECT   17   16   12                                                       
CONECT   18    4   19                                                       
CONECT   19   18   20   41                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   26                                                  
CONECT   24   23   25                                                       
CONECT   25   24                                                            
CONECT   26   23   27   41                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   38                                                  
CONECT   29   28   30                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   33   35                                                  
CONECT   33   32   34                                                       
CONECT   34   33                                                            
CONECT   35   32   36   38                                                  
CONECT   36   35   37                                                       
CONECT   37   36                                                            
CONECT   38   35   28   39                                                  
CONECT   39   38   40                                                       
CONECT   40   39                                                            
CONECT   41   26   19   42                                                  
CONECT   42   41   43                                                       
CONECT   43   42                                                            
MASTER        0    0    0    0    0    0    0    0   43    0   94    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₂H₄₅NO₁₀

Average Mass

603.7090 Da

Monoisotopic Mass

603.30435 Da

IUPAC Name

4-{[(2R,3S,4S,5R,6R)-3,5-dimethoxy-6-methyl-4-{[(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-methoxy-1,2-dimethyl-9H-carbazole

Traditional Name

4-{[(2R,3S,4S,5R,6R)-3,5-dimethoxy-6-methyl-4-{[(2R,3S,4S,5R,6R)-3,4,5-trimethoxy-6-methyloxan-2-yl]oxy}oxan-2-yl]oxy}-3-methoxy-1,2-dimethyl-9H-carbazole

CAS Registry Number

Not Available

SMILES

CO[C@@H]1[C@@H](C)O[C@H](O[C@H]2[C@H](OC)[C@@H](C)O[C@H](OC3=C(OC)C(C)=C(C)C4=C3C3=C(N4)C=CC=C3)[C@H]2OC)[C@@H](OC)[C@H]1OC

InChI Identifier

InChI=1S/C32H45NO10/c1-15-16(2)23(34-5)26(21-19-13-11-12-14-20(19)33-22(15)21)42-32-30(39-10)28(25(36-7)18(4)41-32)43-31-29(38-9)27(37-8)24(35-6)17(3)40-31/h11-14,17-18,24-25,27-33H,1-10H3/t17-,18-,24-,25-,27+,28+,29+,30+,31-,32-/m1/s1

InChI Key

VSSOVOQTGFNYTB-STQIHJLYSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View

Predicted Spectra

Not Available

Chemical Shift Submissions

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹H NMR Spectrum (1D, 400, C3D6O, simulated)	wangwen@nju.edu.cn	Nanjing University	wen wang	2024-05-02	View Spectrum

Species

Species of Origin

Species Name	Source	Reference
phattalungensis DSM 45584		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	4.93	ChemAxon
pKa (Strongest Acidic)	15.53	ChemAxon
pKa (Strongest Basic)	-3.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	108.09 Å²	ChemAxon
Rotatable Bond Count	10	ChemAxon
Refractivity	157.22 m³·mol⁻¹	ChemAxon
Polarizability	64.84 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

Not Available

References

General References

Not Available

Showing NP-Card for Carbazomycin J (NP0332931)

MOL for NP0332931 (Carbazomycin J)

3D MOL for NP0332931 (Carbazomycin J)

3D SDF for NP0332931 (Carbazomycin J)

3D-SDF for NP0332931 (Carbazomycin J)

PDB for NP0332931 (Carbazomycin J)

3D PDB for NP0332931 (Carbazomycin J)

SMILES for NP0332931 (Carbazomycin J)

INCHI for NP0332931 (Carbazomycin J)

Structure for NP0332931 (Carbazomycin J)

3D Structure for NP0332931 (Carbazomycin J)