NP-MRD: Showing NP-Card for olivomycin a (NP0288091)

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Record Information

Version

2.0

Created at

2022-09-09 17:39:32 UTC

Updated at

2022-09-09 17:39:33 UTC

NP-MRD ID

NP0288091

Secondary Accession Numbers

None

Natural Product Identification

Common Name

olivomycin a

Description

Olivomycin A belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds. olivomycin a was first documented in 2019 (PMID: 31750037). Based on a literature review a small amount of articles have been published on olivomycin A (PMID: 36012127) (PMID: 34697733) (PMID: 32722584) (PMID: 30927527).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309092219392D          

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M  END

     RDKit          3D

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M  END


  Mrv1652309092219392D          

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   -2.8579   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.5724   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0013   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.9500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.9979   -5.7252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5282   -4.8067    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7158   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.4302   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1447   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5737   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8592   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0013   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.0013   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2868   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8579   -4.1250    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1434   -3.7125    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1434   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7145   -6.1875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.1434   -5.3625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  3  2  1  6  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  1  6  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  1  0  0  0
 11  3  1  6  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
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 19 18  1  1  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  1  0  0  0
 23 22  1  6  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  1  0  0  0
 25 27  1  0  0  0  0
 27 28  1  1  0  0  0
 28 29  1  0  0  0  0
 27 30  1  0  0  0  0
 30 31  1  1  0  0  0
 30 32  1  0  0  0  0
 23 32  1  0  0  0  0
 21 33  1  0  0  0  0
 33 34  1  1  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  2  0  0  0  0
 33 38  1  0  0  0  0
 38 39  1  1  0  0  0
 38 40  1  0  0  0  0
 19 40  1  0  0  0  0
 17 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 15 44  1  0  0  0  0
 44 45  2  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 13 47  2  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 11 50  1  0  0  0  0
 50 51  1  1  0  0  0
 52 51  1  6  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 54 55  1  6  0  0  0
 56 55  1  1  0  0  0
 56 57  1  0  0  0  0
 57 58  1  0  0  0  0
 58 59  1  1  0  0  0
 60 59  1  1  0  0  0
 60 61  1  0  0  0  0
 61 62  1  0  0  0  0
 62 63  1  1  0  0  0
 62 64  1  6  0  0  0
 62 65  1  0  0  0  0
 65 66  1  1  0  0  0
 66 67  1  0  0  0  0
 67 68  2  0  0  0  0
 67 69  1  0  0  0  0
 69 70  1  0  0  0  0
 69 71  1  0  0  0  0
 65 72  1  0  0  0  0
 72 73  1  6  0  0  0
 72 74  1  0  0  0  0
 60 74  1  0  0  0  0
 58 75  1  0  0  0  0
 75 76  1  6  0  0  0
 75 77  1  0  0  0  0
 77 78  1  1  0  0  0
 77 79  1  0  0  0  0
 56 79  1  0  0  0  0
 54 80  1  0  0  0  0
 80 81  1  1  0  0  0
 80 82  1  0  0  0  0
 82 83  1  6  0  0  0
 82 84  1  0  0  0  0
 52 84  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0288091

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CO[C@@H]([C@@H]1CC2=C(C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](C)O4)[C@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O1)C(O)=C1C(O)=CC(O[C@H]3C[C@@H](O[C@@H]4C[C@@H](O)[C@@H](OC)[C@@H](C)O4)[C@@H](OC(C)=O)[C@@H](C)O3)=CC1=C2)C(=O)[C@@H](O)[C@@H](C)O

> <INCHI_IDENTIFIER>
InChI=1S/C58H84O26/c1-22(2)57(69)84-56-28(8)77-43(21-58(56,10)70)81-37-18-41(73-24(4)48(37)65)80-36-19-42(74-25(5)47(36)64)83-55-33(54(72-12)51(68)46(63)23(3)59)15-31-13-30-14-32(16-34(61)44(30)49(66)45(31)50(55)67)79-40-20-38(53(27(7)76-40)78-29(9)60)82-39-17-35(62)52(71-11)26(6)75-39/h13-14,16,22-28,33,35-43,46-48,52-56,59,61-66,70H,15,17-21H2,1-12H3/t23-,24-,25-,26-,27-,28+,33+,35-,36-,37-,38-,39-,40+,41+,42+,43+,46+,47-,48-,52+,53+,54+,55+,56+,58+/m1/s1

> <INCHI_KEY>
OCOLTXUAPMAMPP-AJVJTBPOSA-N

> <FORMULA>
C58H84O26

> <MOLECULAR_WEIGHT>
1197.284

> <EXACT_MASS>
1196.525082825

> <JCHEM_ACCEPTOR_COUNT>
24

> <JCHEM_ATOM_COUNT>
168

> <JCHEM_AVERAGE_POLARIZABILITY>
121.00059262743142

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4S,6S)-6-{[(2R,3R,4R,6S)-6-{[(2R,3R,4R,6S)-6-{[(2S,3S)-6-{[(2S,4R,5S,6R)-5-(acetyloxy)-4-{[(2R,4R,5R,6R)-4-hydroxy-5-methoxy-6-methyloxan-2-yl]oxy}-6-methyloxan-2-yl]oxy}-3-[(1S,3S,4R)-3,4-dihydroxy-1-methoxy-2-oxopentyl]-8,9-dihydroxy-1-oxo-1,2,3,4-tetrahydroanthracen-2-yl]oxy}-3-hydroxy-2-methyloxan-4-yl]oxy}-3-hydroxy-2-methyloxan-4-yl]oxy}-4-hydroxy-2,4-dimethyloxan-3-yl 2-methylpropanoate

> <JCHEM_LOGP>
4.328368943

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
8

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.909051592043614

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.721022838949738

> <JCHEM_PKA_STRONGEST_BASIC>
-3.0884265957904837

> <JCHEM_POLAR_SURFACE_AREA>
359.34000000000003

> <JCHEM_REFRACTIVITY>
284.2235

> <JCHEM_ROTATABLE_BOND_COUNT>
21

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
olivomycin A

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 09-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   09-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+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  -0.770   0.000  0.00  0.00           C+0
HETATM    5  O   UNK     0       0.000  -0.000   0.000  0.00  0.00           O+0
HETATM    6  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    7  O   UNK     0       4.001  -0.770   0.000  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.667   1.540   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       1.334   2.310   0.000  0.00  0.00           C+0
HETATM   10  O   UNK     0       4.001   2.310   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       8.002  -3.080   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.336  -2.310   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.669  -3.080   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0      12.003  -2.310   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0      13.337  -3.080   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      14.670  -2.310   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      16.004  -3.080   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0      17.338  -2.310   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0      17.338  -0.770   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      16.004  -0.000   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      16.004   1.540   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      14.670   2.310   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      17.338   2.310   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      17.338   3.850   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      18.672   4.620   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      18.672   1.540   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      20.005   2.310   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      18.672  -0.000   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      16.004  -4.620   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      17.338  -5.390   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0      17.338  -6.930   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0      18.672  -7.700   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0      16.004  -7.700   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0      14.670  -5.390   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0      13.337  -4.620   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0      10.669  -4.620   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       9.336  -6.930   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       5.335  -4.620   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   49  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   50  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   51  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   52  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   53  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0       0.000  -9.240   0.000  0.00  0.00           C+0
HETATM   55  O   UNK     0      -1.334 -10.010   0.000  0.00  0.00           O+0
HETATM   56  C   UNK     0      -2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   57  C   UNK     0      -4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   58  C   UNK     0      -5.335  -9.240   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0      -6.668 -10.010   0.000  0.00  0.00           O+0
HETATM   60  C   UNK     0      -8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   61  C   UNK     0      -9.336 -10.010   0.000  0.00  0.00           C+0
HETATM   62  C   UNK     0     -10.669  -9.240   0.000  0.00  0.00           C+0
HETATM   63  C   UNK     0     -11.196 -10.687   0.000  0.00  0.00           C+0
HETATM   64  O   UNK     0     -12.186  -8.973   0.000  0.00  0.00           O+0
HETATM   65  C   UNK     0     -10.669  -7.700   0.000  0.00  0.00           C+0
HETATM   66  O   UNK     0     -12.003  -6.930   0.000  0.00  0.00           O+0
HETATM   67  C   UNK     0     -13.337  -7.700   0.000  0.00  0.00           C+0
HETATM   68  O   UNK     0     -13.337  -9.240   0.000  0.00  0.00           O+0
HETATM   69  C   UNK     0     -14.670  -6.930   0.000  0.00  0.00           C+0
HETATM   70  C   UNK     0     -16.004  -7.700   0.000  0.00  0.00           C+0
HETATM   71  C   UNK     0     -14.670  -5.390   0.000  0.00  0.00           C+0
HETATM   72  C   UNK     0      -9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   73  C   UNK     0      -9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   74  O   UNK     0      -8.002  -7.700   0.000  0.00  0.00           O+0
HETATM   75  C   UNK     0      -5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   76  O   UNK     0      -6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   77  C   UNK     0      -4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   78  C   UNK     0      -4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   79  O   UNK     0      -2.667  -7.700   0.000  0.00  0.00           O+0
HETATM   80  C   UNK     0       1.334 -10.010   0.000  0.00  0.00           C+0
HETATM   81  O   UNK     0       1.334 -11.550   0.000  0.00  0.00           O+0
HETATM   82  C   UNK     0       2.667  -9.240   0.000  0.00  0.00           C+0
HETATM   83  C   UNK     0       4.001 -10.010   0.000  0.00  0.00           C+0
HETATM   84  O   UNK     0       2.667  -7.700   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   11                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4                                                            
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8                                                            
CONECT   11    3   12   50                                                  
CONECT   12   11   13                                                       
CONECT   13   12   14   47                                                  
CONECT   14   13   15                                                       
CONECT   15   14   16   44                                                  
CONECT   16   15   17                                                       
CONECT   17   16   18   41                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   40                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22   33                                                  
CONECT   22   21   23                                                       
CONECT   23   22   24   32                                                  
CONECT   24   23   25                                                       
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27   31   32                                                  
CONECT   31   30                                                            
CONECT   32   30   23                                                       
CONECT   33   21   34   38                                                  
CONECT   34   33   35                                                       
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35                                                            
CONECT   38   33   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   19                                                       
CONECT   41   17   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   15   45                                                  
CONECT   45   44   46   47                                                  
CONECT   46   45                                                            
CONECT   47   45   13   48                                                  
CONECT   48   47   49   50                                                  
CONECT   49   48                                                            
CONECT   50   48   11   51                                                  
CONECT   51   50   52                                                       
CONECT   52   51   53   84                                                  
CONECT   53   52   54                                                       
CONECT   54   53   55   80                                                  
CONECT   55   54   56                                                       
CONECT   56   55   57   79                                                  
CONECT   57   56   58                                                       
CONECT   58   57   59   75                                                  
CONECT   59   58   60                                                       
CONECT   60   59   61   74                                                  
CONECT   61   60   62                                                       
CONECT   62   61   63   64   65                                             
CONECT   63   62                                                            
CONECT   64   62                                                            
CONECT   65   62   66   72                                                  
CONECT   66   65   67                                                       
CONECT   67   66   68   69                                                  
CONECT   68   67                                                            
CONECT   69   67   70   71                                                  
CONECT   70   69                                                            
CONECT   71   69                                                            
CONECT   72   65   73   74                                                  
CONECT   73   72                                                            
CONECT   74   72   60                                                       
CONECT   75   58   76   77                                                  
CONECT   76   75                                                            
CONECT   77   75   78   79                                                  
CONECT   78   77                                                            
CONECT   79   77   56                                                       
CONECT   80   54   81   82                                                  
CONECT   81   80                                                            
CONECT   82   80   83   84                                                  
CONECT   83   82                                                            
CONECT   84   82   52                                                       
MASTER        0    0    0    0    0    0    0    0   84    0  182    0
END

View in JSmol

Synonyms

Value	Source
Olivomycin I	ChEBI

Chemical Formula

C₅₈H₈₄O₂₆

Average Mass

1197.2840 Da

Monoisotopic Mass

1196.52508 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CO[C@@H]([C@@H]1CC2=C(C(=O)[C@H]1O[C@H]1C[C@@H](O[C@H]3C[C@@H](O[C@H]4C[C@](C)(O)[C@@H](OC(=O)C(C)C)[C@H](C)O4)[C@H](O)[C@@H](C)O3)[C@H](O)[C@@H](C)O1)C(O)=C1C(O)=CC(O[C@H]3C[C@@H](O[C@@H]4C[C@@H](O)[C@@H](OC)[C@@H](C)O4)[C@@H](OC(C)=O)[C@@H](C)O3)=CC1=C2)C(=O)[C@@H](O)[C@@H](C)O

InChI Identifier

InChI=1S/C58H84O26/c1-22(2)57(69)84-56-28(8)77-43(21-58(56,10)70)81-37-18-41(73-24(4)48(37)65)80-36-19-42(74-25(5)47(36)64)83-55-33(54(72-12)51(68)46(63)23(3)59)15-31-13-30-14-32(16-34(61)44(30)49(66)45(31)50(55)67)79-40-20-38(53(27(7)76-40)78-29(9)60)82-39-17-35(62)52(71-11)26(6)75-39/h13-14,16,22-28,33,35-43,46-48,52-56,59,61-66,70H,15,17-21H2,1-12H3/t23-,24-,25-,26-,27-,28+,33+,35-,36-,37-,38-,39-,40+,41+,42+,43+,46+,47-,48-,52+,53+,54+,55+,56+,58+/m1/s1

InChI Key

OCOLTXUAPMAMPP-AJVJTBPOSA-N

Experimental Spectra

Not Available

Predicted Spectra

Spectrum Type	Description	Depositor ID	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 25 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Not Available

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as oligosaccharides. These are carbohydrates made up of 3 to 10 monosaccharide units linked to each other through glycosidic bonds.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbohydrates and carbohydrate conjugates

Direct Parent

Oligosaccharides

Alternative Parents

Substituents

Oligosaccharide
Anthracene
Glycosyl compound
1-naphthol
O-glycosyl compound
Tetralin
Aryl ketone
Aryl alkyl ketone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Acyloin
Beta-hydroxy ketone
Dicarboxylic acid or derivatives
Benzenoid
Oxane
Tertiary alcohol
Alpha-hydroxy ketone
Vinylogous acid
Secondary alcohol
Ketone
Carboxylic acid ester
Organoheterocyclic compound
Acetal
Oxacycle
Ether
Carboxylic acid derivative
Dialkyl ether
Hydrocarbon derivative
Carbonyl group
Organic oxide
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

olivomycin (CHEBI:52511 )

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

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00017880

Chemspider ID

109474

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

122806

PDB ID

Not Available

ChEBI ID

52511

Good Scents ID

Not Available

References

General References

Isagulieva AK, Kaluzhny DN, Beniaminov AD, Soshnikova NV, Shtil AA: Differential Impact of Random GC Tetrad Binding and Chromatin Events on Transcriptional Inhibition by Olivomycin A. Int J Mol Sci. 2022 Aug 9;23(16):8871. doi: 10.3390/ijms23168871. [PubMed:36012127 ]
Isagulieva AK, Soshnikova NV, Shtil AA: Inhibition of the c-Myc Oncogene by the Aureolic Acid Group Antibiotics. Dokl Biochem Biophys. 2021 Sep;500(1):308-311. doi: 10.1134/S1607672921050094. Epub 2021 Oct 25. [PubMed:34697733 ]
Beniaminov AD, Chashchina GV, Livshits MA, Kechko OI, Mitkevich VA, Mamaeva OK, Tevyashova AN, Shtil AA, Shchyolkina AK, Kaluzhny DN: Discrimination between G/C Binding Sites by Olivomycin A Is Determined by Kinetics of the Drug-DNA Interaction. Int J Mol Sci. 2020 Jul 26;21(15):5299. doi: 10.3390/ijms21155299. [PubMed:32722584 ]
Gozari M, Bahador N, Mortazavi MS, Eftekhar E, Jassbi AR: An "olivomycin A" derivative from a sponge-associated Streptomyces sp. strain SP 85. 3 Biotech. 2019 Dec;9(12):439. doi: 10.1007/s13205-019-1964-5. Epub 2019 Nov 7. [PubMed:31750037 ]
Sergeev AV, Tevyashova AN, Vorobyov AP, Gromova ES: The Effect of Antitumor Antibiotic Olivomycin A and Its New Semi-synthetic Derivative Olivamide on the Activity of Murine DNA Methyltransferase Dnmt3a. Biochemistry (Mosc). 2019 Jan;84(1):62-70. doi: 10.1134/S0006297919010085. [PubMed:30927527 ]
LOTUS database [Link]

Showing NP-Card for olivomycin a (NP0288091)

MOL for NP0288091 (olivomycin a)

3D MOL for NP0288091 (olivomycin a)

3D SDF for NP0288091 (olivomycin a)

3D-SDF for NP0288091 (olivomycin a)

PDB for NP0288091 (olivomycin a)

3D PDB for NP0288091 (olivomycin a)

SMILES for NP0288091 (olivomycin a)

INCHI for NP0288091 (olivomycin a)

Structure for NP0288091 (olivomycin a)

3D Structure for NP0288091 (olivomycin a)