NP-MRD: Showing NP-Card for Alldimycin B (NP0008524)

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Record Information

Version

2.0

Created at

2020-12-09 06:05:33 UTC

Updated at

2021-07-15 17:00:40 UTC

NP-MRD ID

NP0008524

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Alldimycin B

Provided By

NPAtlas

Description

Alldimycin B is found in Streptomyces violaceus. Based on a literature review very few articles have been published on Alldimycin B.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307012119563D          

 98103  0  0  0  0            999 V2000
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   -0.5303   -2.6157    1.2789 C   0  0  2  0  0  0  0  0  0  0  0  0
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M  END

     RDKit          3D

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M  END


  Mrv1652307012119563D          

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  1 51  1  0  0  0  0
  1 52  1  0  0  0  0
  1 53  1  0  0  0  0
  2 54  1  0  0  0  0
  2 55  1  0  0  0  0
  4 56  1  0  0  0  0
  5 57  1  0  0  0  0
  5 58  1  0  0  0  0
  6 59  1  1  0  0  0
  8 60  1  1  0  0  0
  9 61  1  0  0  0  0
  9 62  1  0  0  0  0
 10 63  1  1  0  0  0
 12 64  1  0  0  0  0
 12 65  1  0  0  0  0
 12 66  1  0  0  0  0
 13 67  1  0  0  0  0
 13 68  1  0  0  0  0
 13 69  1  0  0  0  0
 14 70  1  1  0  0  0
 15 71  1  0  0  0  0
 16 72  1  1  0  0  0
 17 73  1  0  0  0  0
 17 74  1  0  0  0  0
 17 75  1  0  0  0  0
 20 76  1  0  0  0  0
 24 77  1  0  0  0  0
 26 78  1  1  0  0  0
 28 79  1  1  0  0  0
 29 80  1  0  0  0  0
 29 81  1  0  0  0  0
 30 82  1  1  0  0  0
 32 83  1  0  0  0  0
 32 84  1  0  0  0  0
 32 85  1  0  0  0  0
 33 86  1  0  0  0  0
 33 87  1  0  0  0  0
 33 88  1  0  0  0  0
 34 89  1  1  0  0  0
 35 90  1  0  0  0  0
 36 91  1  1  0  0  0
 37 92  1  0  0  0  0
 37 93  1  0  0  0  0
 37 94  1  0  0  0  0
 43 95  1  0  0  0  0
 44 96  1  0  0  0  0
 45 97  1  0  0  0  0
 47 98  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0008524

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C2C(=O)C3=C(C(=O)C2=C(O[H])C([H])=C1[H])C(O[H])=C1C(=C3[H])[C@]([H])(O[C@]2([H])O[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])C2([H])[H])C([H])([H])[C@@](O[H])(C([H])([H])C([H])([H])[H])[C@]1([H])O[C@]1([H])O[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])C1([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C36H48N2O12/c1-8-36(46)14-23(49-24-12-19(37(4)5)30(41)15(2)47-24)17-11-18-26(34(45)29-22(40)10-9-21(39)28(29)32(18)43)33(44)27(17)35(36)50-25-13-20(38(6)7)31(42)16(3)48-25/h9-11,15-16,19-20,23-25,30-31,35,39-42,44,46H,8,12-14H2,1-7H3/t15-,16-,19-,20-,23-,24+,25+,30+,31+,35-,36+/m1/s1

> <INCHI_KEY>
JBKZSVYMGSDYJL-QFFJTSEKSA-N

> <FORMULA>
C36H48N2O12

> <MOLECULAR_WEIGHT>
700.782

> <EXACT_MASS>
700.320724994

> <JCHEM_ACCEPTOR_COUNT>
14

> <JCHEM_ATOM_COUNT>
98

> <JCHEM_AVERAGE_POLARIZABILITY>
75.43146638193805

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
6

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(7R,8S,10R)-10-{[(2R,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-7-{[(2S,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-8-ethyl-1,4,6,8-tetrahydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

> <ALOGPS_LOGP>
2.12

> <JCHEM_LOGP>
2.8692208017606946

> <ALOGPS_LOGS>
-2.92

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
2

> <JCHEM_PKA>
8.907289491288116

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.397853634851852

> <JCHEM_PKA_STRONGEST_BASIC>
8.452255550172598

> <JCHEM_POLAR_SURFACE_AREA>
198.92

> <JCHEM_REFRACTIVITY>
180.2584

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
8.41e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(7R,8S,10R)-10-{[(2R,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-7-{[(2S,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-8-ethyl-1,4,6,8-tetrahydroxy-9,10-dihydro-7H-tetracene-5,12-dione

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 98103  0  0  0  0  0  0  0  0999 V2000
    0.2082   -2.0258    2.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -2.6157    1.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -1.7460    0.0317 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3191   -2.5179   -0.8917 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7775   -1.6199   -0.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529   -0.4311   -0.0385 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6878   -0.3278   -0.8304 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8224   -0.4633   -0.0559 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6012   -1.7299   -0.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5825   -1.9027    0.7338 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2999   -3.1442    0.6777 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2310   -3.2856    1.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3294   -4.2253    0.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -0.6998    0.7642 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2760   -0.6045   -0.3693 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6526    0.5591    0.9109 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5138    1.7978    0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.6478   -0.0383 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7416    0.8040   -0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3555    1.9892   -0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6872    3.1752   -0.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6762    3.1520   -0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3431    1.9697   -0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6719    1.9198   -0.0997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6119    0.7700   -0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3293   -0.4471    0.2619 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5302   -0.5763   -0.4330 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.8381   -0.1224   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0909   -0.9476   -0.1960 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3650   -1.2695   -1.5696 N   0  0  0  0  0  0  0  0  0  0  0  0
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   -7.7347   -1.5494   -1.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1498   -2.1289    0.7261 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7782   -3.1883    0.0730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7987   -2.5661    1.2238 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8293   -4.0726    1.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8158   -2.2552    0.2941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4467    4.3957   -0.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6773    4.3838   -0.6498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229    5.6195   -1.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4472    6.7646   -1.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8150    6.7417   -1.1581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820    7.9241   -1.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5893    7.9280   -1.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3306    6.7828   -1.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7036    6.7391   -1.7856 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6444    5.6206   -1.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4153    4.3972   -1.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6578    4.3879   -1.2572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2012   -2.4665    3.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2594   -2.3772    2.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0977   -0.9333    2.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5321   -2.9709    1.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.3598   -2.5303   -0.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8642   -0.5551    0.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5074   -0.6129    0.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0628   -1.6880   -1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.9890   -1.8811    1.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7703   -3.0581    2.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5242   -4.3548    1.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340   -2.7007    1.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -5.1717    1.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -4.3886   -0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6211   -3.9655    1.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1608   -0.8269    1.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1162    0.2086   -0.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1486    0.4891    1.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6590    2.2664   -0.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4680    1.5343    1.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    2.5808    1.6012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    2.0187   -0.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4668    2.4311   -0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6295   -0.4141    1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3046   -0.7259    1.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0170    0.7423    0.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7230    0.3880   -1.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9327   -0.2775    0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3210   -3.1091   -1.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4337   -1.3869   -1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0456   -0.9168   -2.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7749   -2.6039   -2.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7661   -1.9269    1.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4471   -3.6373    0.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5933   -2.1378    2.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7087   -4.4099    1.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7666   -4.5888    0.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8881   -4.3795    1.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3468    7.5907   -1.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3445    8.8275   -1.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0920    8.8558   -2.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1677    7.6100   -2.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  9 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 10 14  1  0
 14 15  1  0
 14 16  1  0
 16 17  1  0
 16 18  1  0
  6 19  1  0
 19 20  2  0
 20 21  1  0
 21 22  2  0
 22 23  1  0
 23 24  1  0
 23 25  2  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 31 32  1  0
 31 33  1  0
 30 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 36 38  1  0
 22 39  1  0
 39 40  2  0
 39 41  1  0
 41 42  2  0
 42 43  1  0
 42 44  1  0
 44 45  2  0
 45 46  1  0
 46 47  1  0
 46 48  2  0
 48 49  1  0
 49 50  2  0
 26  3  1  0
 38 28  1  0
 48 41  1  0
 18  8  1  0
 25 19  1  0
 49 21  1  0
  1 51  1  0
  1 52  1  0
  1 53  1  0
  2 54  1  0
  2 55  1  0
  4 56  1  0
  5 57  1  0
  5 58  1  0
  6 59  1  1
  8 60  1  1
  9 61  1  0
  9 62  1  0
 10 63  1  1
 12 64  1  0
 12 65  1  0
 12 66  1  0
 13 67  1  0
 13 68  1  0
 13 69  1  0
 14 70  1  1
 15 71  1  0
 16 72  1  1
 17 73  1  0
 17 74  1  0
 17 75  1  0
 20 76  1  0
 24 77  1  0
 26 78  1  1
 28 79  1  1
 29 80  1  0
 29 81  1  0
 30 82  1  1
 32 83  1  0
 32 84  1  0
 32 85  1  0
 33 86  1  0
 33 87  1  0
 33 88  1  0
 34 89  1  1
 35 90  1  0
 36 91  1  1
 37 92  1  0
 37 93  1  0
 37 94  1  0
 43 95  1  0
 44 96  1  0
 45 97  1  0
 47 98  1  0
M  END

HEADER    PROTEIN                                 01-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-JUL-21         0                                  
HETATM    1  C   UNK     0       0.208  -2.026   2.426  0.00  0.00           C+0
HETATM    2  C   UNK     0      -0.530  -2.616   1.279  0.00  0.00           C+0
HETATM    3  C   UNK     0      -0.566  -1.746   0.032  0.00  0.00           C+0
HETATM    4  O   UNK     0      -1.319  -2.518  -0.892  0.00  0.00           O+0
HETATM    5  C   UNK     0       0.778  -1.620  -0.562  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.553  -0.431  -0.039  0.00  0.00           C+0
HETATM    7  O   UNK     0       2.688  -0.328  -0.830  0.00  0.00           O+0
HETATM    8  C   UNK     0       3.822  -0.463  -0.056  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.601  -1.730  -0.383  0.00  0.00           C+0
HETATM   10  C   UNK     0       5.582  -1.903   0.734  0.00  0.00           C+0
HETATM   11  N   UNK     0       6.300  -3.144   0.678  0.00  0.00           N+0
HETATM   12  C   UNK     0       7.231  -3.286   1.768  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.329  -4.225   0.802  0.00  0.00           C+0
HETATM   14  C   UNK     0       6.479  -0.700   0.764  0.00  0.00           C+0
HETATM   15  O   UNK     0       7.276  -0.605  -0.369  0.00  0.00           O+0
HETATM   16  C   UNK     0       5.653   0.559   0.911  0.00  0.00           C+0
HETATM   17  C   UNK     0       6.514   1.798   0.959  0.00  0.00           C+0
HETATM   18  O   UNK     0       4.650   0.648  -0.038  0.00  0.00           O+0
HETATM   19  C   UNK     0       0.742   0.804  -0.242  0.00  0.00           C+0
HETATM   20  C   UNK     0       1.355   1.989  -0.575  0.00  0.00           C+0
HETATM   21  C   UNK     0       0.687   3.175  -0.764  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.676   3.152  -0.604  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.343   1.970  -0.265  0.00  0.00           C+0
HETATM   24  O   UNK     0      -2.672   1.920  -0.100  0.00  0.00           O+0
HETATM   25  C   UNK     0      -0.612   0.770  -0.082  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.329  -0.447   0.262  0.00  0.00           C+0
HETATM   27  O   UNK     0      -2.530  -0.576  -0.433  0.00  0.00           O+0
HETATM   28  C   UNK     0      -3.634  -0.828   0.374  0.00  0.00           C+0
HETATM   29  C   UNK     0      -4.838  -0.122  -0.046  0.00  0.00           C+0
HETATM   30  C   UNK     0      -6.091  -0.948  -0.196  0.00  0.00           C+0
HETATM   31  N   UNK     0      -6.365  -1.270  -1.570  0.00  0.00           N+0
HETATM   32  C   UNK     0      -5.412  -2.055  -2.236  0.00  0.00           C+0
HETATM   33  C   UNK     0      -7.735  -1.549  -1.859  0.00  0.00           C+0
HETATM   34  C   UNK     0      -6.150  -2.129   0.726  0.00  0.00           C+0
HETATM   35  O   UNK     0      -6.778  -3.188   0.073  0.00  0.00           O+0
HETATM   36  C   UNK     0      -4.799  -2.566   1.224  0.00  0.00           C+0
HETATM   37  C   UNK     0      -4.829  -4.073   1.373  0.00  0.00           C+0
HETATM   38  O   UNK     0      -3.816  -2.255   0.294  0.00  0.00           O+0
HETATM   39  C   UNK     0      -1.447   4.396  -0.792  0.00  0.00           C+0
HETATM   40  O   UNK     0      -2.677   4.384  -0.650  0.00  0.00           O+0
HETATM   41  C   UNK     0      -0.723   5.620  -1.147  0.00  0.00           C+0
HETATM   42  C   UNK     0      -1.447   6.765  -1.319  0.00  0.00           C+0
HETATM   43  O   UNK     0      -2.815   6.742  -1.158  0.00  0.00           O+0
HETATM   44  C   UNK     0      -0.782   7.924  -1.652  0.00  0.00           C+0
HETATM   45  C   UNK     0       0.589   7.928  -1.809  0.00  0.00           C+0
HETATM   46  C   UNK     0       1.331   6.783  -1.639  0.00  0.00           C+0
HETATM   47  O   UNK     0       2.704   6.739  -1.786  0.00  0.00           O+0
HETATM   48  C   UNK     0       0.644   5.621  -1.303  0.00  0.00           C+0
HETATM   49  C   UNK     0       1.415   4.397  -1.118  0.00  0.00           C+0
HETATM   50  O   UNK     0       2.658   4.388  -1.257  0.00  0.00           O+0
HETATM   51  H   UNK     0      -0.201  -2.466   3.375  0.00  0.00           H+0
HETATM   52  H   UNK     0       1.259  -2.377   2.397  0.00  0.00           H+0
HETATM   53  H   UNK     0       0.098  -0.933   2.545  0.00  0.00           H+0
HETATM   54  H   UNK     0      -1.532  -2.971   1.587  0.00  0.00           H+0
HETATM   55  H   UNK     0       0.003  -3.557   0.954  0.00  0.00           H+0
HETATM   56  H   UNK     0      -1.227  -2.094  -1.795  0.00  0.00           H+0
HETATM   57  H   UNK     0       0.765  -1.561  -1.682  0.00  0.00           H+0
HETATM   58  H   UNK     0       1.360  -2.530  -0.308  0.00  0.00           H+0
HETATM   59  H   UNK     0       1.864  -0.555   0.998  0.00  0.00           H+0
HETATM   60  H   UNK     0       3.507  -0.613   0.997  0.00  0.00           H+0
HETATM   61  H   UNK     0       5.063  -1.688  -1.380  0.00  0.00           H+0
HETATM   62  H   UNK     0       3.894  -2.584  -0.376  0.00  0.00           H+0
HETATM   63  H   UNK     0       4.989  -1.881   1.689  0.00  0.00           H+0
HETATM   64  H   UNK     0       6.770  -3.058   2.754  0.00  0.00           H+0
HETATM   65  H   UNK     0       7.524  -4.355   1.812  0.00  0.00           H+0
HETATM   66  H   UNK     0       8.134  -2.701   1.569  0.00  0.00           H+0
HETATM   67  H   UNK     0       5.862  -5.172   1.068  0.00  0.00           H+0
HETATM   68  H   UNK     0       4.810  -4.389  -0.150  0.00  0.00           H+0
HETATM   69  H   UNK     0       4.621  -3.966   1.607  0.00  0.00           H+0
HETATM   70  H   UNK     0       7.161  -0.827   1.632  0.00  0.00           H+0
HETATM   71  H   UNK     0       7.116   0.209  -0.889  0.00  0.00           H+0
HETATM   72  H   UNK     0       5.149   0.489   1.898  0.00  0.00           H+0
HETATM   73  H   UNK     0       6.659   2.266  -0.027  0.00  0.00           H+0
HETATM   74  H   UNK     0       7.468   1.534   1.458  0.00  0.00           H+0
HETATM   75  H   UNK     0       6.033   2.581   1.601  0.00  0.00           H+0
HETATM   76  H   UNK     0       2.424   2.019  -0.705  0.00  0.00           H+0
HETATM   77  H   UNK     0      -3.467   2.431  -0.121  0.00  0.00           H+0
HETATM   78  H   UNK     0      -1.630  -0.414   1.352  0.00  0.00           H+0
HETATM   79  H   UNK     0      -3.305  -0.726   1.423  0.00  0.00           H+0
HETATM   80  H   UNK     0      -5.017   0.742   0.661  0.00  0.00           H+0
HETATM   81  H   UNK     0      -4.723   0.388  -1.049  0.00  0.00           H+0
HETATM   82  H   UNK     0      -6.933  -0.278   0.110  0.00  0.00           H+0
HETATM   83  H   UNK     0      -5.787  -2.215  -3.291  0.00  0.00           H+0
HETATM   84  H   UNK     0      -4.410  -1.661  -2.336  0.00  0.00           H+0
HETATM   85  H   UNK     0      -5.321  -3.109  -1.838  0.00  0.00           H+0
HETATM   86  H   UNK     0      -8.434  -1.387  -1.031  0.00  0.00           H+0
HETATM   87  H   UNK     0      -8.046  -0.917  -2.723  0.00  0.00           H+0
HETATM   88  H   UNK     0      -7.775  -2.604  -2.257  0.00  0.00           H+0
HETATM   89  H   UNK     0      -6.766  -1.927   1.641  0.00  0.00           H+0
HETATM   90  H   UNK     0      -7.447  -3.637   0.622  0.00  0.00           H+0
HETATM   91  H   UNK     0      -4.593  -2.138   2.217  0.00  0.00           H+0
HETATM   92  H   UNK     0      -5.709  -4.410   1.965  0.00  0.00           H+0
HETATM   93  H   UNK     0      -4.767  -4.589   0.387  0.00  0.00           H+0
HETATM   94  H   UNK     0      -3.888  -4.380   1.910  0.00  0.00           H+0
HETATM   95  H   UNK     0      -3.347   7.591  -1.286  0.00  0.00           H+0
HETATM   96  H   UNK     0      -1.345   8.828  -1.789  0.00  0.00           H+0
HETATM   97  H   UNK     0       1.092   8.856  -2.073  0.00  0.00           H+0
HETATM   98  H   UNK     0       3.168   7.610  -2.033  0.00  0.00           H+0
CONECT    1    2   51   52   53                                             
CONECT    2    1    3   54   55                                             
CONECT    3    2    4    5   26                                             
CONECT    4    3   56                                                       
CONECT    5    3    6   57   58                                             
CONECT    6    5    7   19   59                                             
CONECT    7    6    8                                                       
CONECT    8    7    9   18   60                                             
CONECT    9    8   10   61   62                                             
CONECT   10    9   11   14   63                                             
CONECT   11   10   12   13                                                  
CONECT   12   11   64   65   66                                             
CONECT   13   11   67   68   69                                             
CONECT   14   10   15   16   70                                             
CONECT   15   14   71                                                       
CONECT   16   14   17   18   72                                             
CONECT   17   16   73   74   75                                             
CONECT   18   16    8                                                       
CONECT   19    6   20   25                                                  
CONECT   20   19   21   76                                                  
CONECT   21   20   22   49                                                  
CONECT   22   21   23   39                                                  
CONECT   23   22   24   25                                                  
CONECT   24   23   77                                                       
CONECT   25   23   26   19                                                  
CONECT   26   25   27    3   78                                             
CONECT   27   26   28                                                       
CONECT   28   27   29   38   79                                             
CONECT   29   28   30   80   81                                             
CONECT   30   29   31   34   82                                             
CONECT   31   30   32   33                                                  
CONECT   32   31   83   84   85                                             
CONECT   33   31   86   87   88                                             
CONECT   34   30   35   36   89                                             
CONECT   35   34   90                                                       
CONECT   36   34   37   38   91                                             
CONECT   37   36   92   93   94                                             
CONECT   38   36   28                                                       
CONECT   39   22   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42   48                                                  
CONECT   42   41   43   44                                                  
CONECT   43   42   95                                                       
CONECT   44   42   45   96                                                  
CONECT   45   44   46   97                                                  
CONECT   46   45   47   48                                                  
CONECT   47   46   98                                                       
CONECT   48   46   49   41                                                  
CONECT   49   48   50   21                                                  
CONECT   50   49                                                            
CONECT   51    1                                                            
CONECT   52    1                                                            
CONECT   53    1                                                            
CONECT   54    2                                                            
CONECT   55    2                                                            
CONECT   56    4                                                            
CONECT   57    5                                                            
CONECT   58    5                                                            
CONECT   59    6                                                            
CONECT   60    8                                                            
CONECT   61    9                                                            
CONECT   62    9                                                            
CONECT   63   10                                                            
CONECT   64   12                                                            
CONECT   65   12                                                            
CONECT   66   12                                                            
CONECT   67   13                                                            
CONECT   68   13                                                            
CONECT   69   13                                                            
CONECT   70   14                                                            
CONECT   71   15                                                            
CONECT   72   16                                                            
CONECT   73   17                                                            
CONECT   74   17                                                            
CONECT   75   17                                                            
CONECT   76   20                                                            
CONECT   77   24                                                            
CONECT   78   26                                                            
CONECT   79   28                                                            
CONECT   80   29                                                            
CONECT   81   29                                                            
CONECT   82   30                                                            
CONECT   83   32                                                            
CONECT   84   32                                                            
CONECT   85   32                                                            
CONECT   86   33                                                            
CONECT   87   33                                                            
CONECT   88   33                                                            
CONECT   89   34                                                            
CONECT   90   35                                                            
CONECT   91   36                                                            
CONECT   92   37                                                            
CONECT   93   37                                                            
CONECT   94   37                                                            
CONECT   95   43                                                            
CONECT   96   44                                                            
CONECT   97   45                                                            
CONECT   98   47                                                            
MASTER        0    0    0    0    0    0    0    0   98    0  206    0
END

RDKit          3D

98103  0  0  0  0  0  0  0  0999 V2000
    0.2082   -2.0258    2.4260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5303   -2.6157    1.2789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5655   -1.7460    0.0317 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3191   -2.5179   -0.8917 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7775   -1.6199   -0.5622 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5529   -0.4311   -0.0385 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.6878   -0.3278   -0.8304 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8224   -0.4633   -0.0559 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.6012   -1.7299   -0.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5825   -1.9027    0.7338 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2999   -3.1442    0.6777 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2310   -3.2856    1.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3294   -4.2253    0.8016 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4792   -0.6998    0.7642 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.2760   -0.6045   -0.3693 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6526    0.5591    0.9109 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5138    1.7978    0.9593 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6501    0.6478   -0.0383 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7416    0.8040   -0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3555    1.9892   -0.5754 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6872    3.1752   -0.7637 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6762    3.1520   -0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3431    1.9697   -0.2648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6719    1.9198   -0.0997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6119    0.7700   -0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3293   -0.4471    0.2619 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5302   -0.5763   -0.4330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6342   -0.8282    0.3740 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8381   -0.1224   -0.0455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0909   -0.9476   -0.1960 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3650   -1.2695   -1.5696 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4118   -2.0555   -2.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7347   -1.5494   -1.8594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1498   -2.1289    0.7261 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7782   -3.1883    0.0730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7987   -2.5661    1.2238 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8293   -4.0726    1.3725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8158   -2.2552    0.2941 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4467    4.3957   -0.7923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6773    4.3838   -0.6498 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7229    5.6195   -1.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4472    6.7646   -1.3188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8150    6.7417   -1.1581 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7820    7.9241   -1.6522 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5893    7.9280   -1.8092 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3306    6.7828   -1.6389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7036    6.7391   -1.7856 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6444    5.6206   -1.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4153    4.3972   -1.1181 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6578    4.3879   -1.2572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2012   -2.4665    3.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2594   -2.3772    2.3973 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0977   -0.9333    2.5446 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5321   -2.9709    1.5865 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0029   -3.5571    0.9538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2272   -2.0938   -1.7951 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7652   -1.5607   -1.6824 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3598   -2.5303   -0.3079 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8642   -0.5551    0.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5074   -0.6129    0.9972 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0628   -1.6880   -1.3796 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8939   -2.5836   -0.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9890   -1.8811    1.6893 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7703   -3.0581    2.7538 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5242   -4.3548    1.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1340   -2.7007    1.5687 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8625   -5.1717    1.0677 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8099   -4.3886   -0.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6211   -3.9655    1.6075 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1608   -0.8269    1.6322 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1162    0.2086   -0.8885 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1486    0.4891    1.8975 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6590    2.2664   -0.0266 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4680    1.5343    1.4575 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0330    2.5808    1.6012 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4241    2.0187   -0.7052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4668    2.4311   -0.1207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6295   -0.4141    1.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3046   -0.7259    1.4234 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0170    0.7423    0.6608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7230    0.3880   -1.0491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9327   -0.2775    0.1096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7868   -2.2145   -3.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4105   -1.6607   -2.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3210   -3.1091   -1.8382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4337   -1.3869   -1.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0456   -0.9168   -2.7227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7749   -2.6039   -2.2566 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7661   -1.9269    1.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4471   -3.6373    0.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5933   -2.1378    2.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7087   -4.4099    1.9650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7666   -4.5888    0.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8881   -4.3795    1.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3468    7.5907   -1.2863 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3445    8.8275   -1.7888 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0920    8.8558   -2.0727 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1677    7.6100   -2.0328 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  6
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M  END

View in JSmol View NMR Assignments

Synonyms

Not Available

Chemical Formula

C₃₆H₄₈N₂O₁₂

Average Mass

700.7820 Da

Monoisotopic Mass

700.32072 Da

IUPAC Name

(7R,8S,10R)-10-{[(2R,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-7-{[(2S,4R,5R,6R)-4-(dimethylamino)-5-hydroxy-6-methyloxan-2-yl]oxy}-8-ethyl-1,4,6,8-tetrahydroxy-5,7,8,9,10,12-hexahydrotetracene-5,12-dione

Traditional Name

CAS Registry Number

Not Available

SMILES

CC[C@]1(O)C[C@@H](O[C@H]2C[C@H]([C@@H](O)[C@@H](C)O2)N(C)C)C2=C([C@H]1O[C@H]1C[C@H]([C@@H](O)[C@@H](C)O1)N(C)C)C(O)=C1C(=O)C3=C(O)C=CC(O)=C3C(=O)C1=C2

InChI Identifier

InChI=1S/C36H48N2O12/c1-8-36(46)14-23(49-24-12-19(37(4)5)30(41)15(2)47-24)17-11-18-26(34(45)29-22(40)10-9-21(39)28(29)32(18)43)33(44)27(17)35(36)50-25-13-20(38(6)7)31(42)16(3)48-25/h9-11,15-16,19-20,23-25,30-31,35,39-42,44,46H,8,12-14H2,1-7H3/t15-,16-,19-,20-,23-,24+,25+,30+,31+,35-,36+/m1/s1

InChI Key

JBKZSVYMGSDYJL-QFFJTSEKSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces violaceus	NPAtlas	1955394

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	2.12	ALOGPS
logP	2.87	ChemAxon
logS	-2.9	ALOGPS
pKa (Strongest Acidic)	7.4	ChemAxon
pKa (Strongest Basic)	8.45	ChemAxon
Physiological Charge	2	ChemAxon
Hydrogen Acceptor Count	14	ChemAxon
Hydrogen Donor Count	6	ChemAxon
Polar Surface Area	198.92 Å²	ChemAxon
Rotatable Bond Count	7	ChemAxon
Refractivity	180.26 m³·mol⁻¹	ChemAxon
Polarizability	75.43 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

NPAtlas ID

NPA021278

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00017183

Chemspider ID

78443203

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

139589234

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Showing NP-Card for Alldimycin B (NP0008524)

MOL for NP0008524 (Alldimycin B)

3D MOL for NP0008524 (Alldimycin B)

3D SDF for NP0008524 (Alldimycin B)

3D-SDF for NP0008524 (Alldimycin B)

PDB for NP0008524 (Alldimycin B)

3D PDB for NP0008524 (Alldimycin B)

SMILES for NP0008524 (Alldimycin B)

INCHI for NP0008524 (Alldimycin B)

Structure for NP0008524 (Alldimycin B)

3D Structure for NP0008524 (Alldimycin B)