NP-MRD: Showing NP-Card for Gilvusmycin (NP0001659)

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Record Information

Version

1.0

Created at

2020-09-23 02:00:31 UTC

Updated at

2021-08-10 02:56:06 UTC

NP-MRD ID

NP0001659

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Gilvusmycin

Provided By

NPAtlas

Description

Gilvusmycin belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring. Gilvusmycin is a secondary metabolite. Secondary metabolites are metabolically or physiologically non-essential metabolites that may serve a role as defense or signalling molecules. In some cases they are simply molecules that arise from the incomplete metabolism of other secondary metabolites. Gilvusmycin is found in Streptomyces. It was first documented in 1999 (PMID: 10348041). Based on a literature review very few articles have been published on gilvusmycin (PMID: 29659660).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307012117043D          

 86 95  0  0  0  0            999 V2000
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  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
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  4  5  1  0  0  0  0
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M  END

     RDKit          3D

 86 95  0  0  0  0  0  0  0  0999 V2000
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   -2.1079   -3.6406    1.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0070   -5.9751    0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384   -6.9132    1.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3758   -6.4894    0.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9902   -4.0903    1.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4157   -2.3960    0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6206   -1.0326    1.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6134   -0.1006   -0.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0811   -0.1781   -2.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8763   -1.2378   -1.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1832    0.8251    1.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5081    5.0691   -0.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3115    4.7868   -2.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8942    1.3733   -2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8878    2.9520   -3.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7159    1.7835   -3.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6485   -0.1413    0.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4948    0.1282   -1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6870   -0.5576    2.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7080    0.7012    3.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9153    2.5146    2.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2518    1.2941    2.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9940    0.9460   -1.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2872    0.4139   -2.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8289    2.1587   -2.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 18 20  2  0
 20 21  1  0
 21 22  1  0
 20 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 26 27  2  0
 26 28  1  0
 28 29  1  0
 29 30  1  0
 30 31  1  0
 32 31  1  6
 32 33  1  0
 33 34  2  0
 34 35  1  0
 35 36  2  0
 35 37  1  0
 37 38  1  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 40 42  1  0
 25 43  2  0
 43 44  1  0
 10 45  1  0
 45 46  1  0
  7 47  1  0
 47 48  1  0
 48 49  1  0
 49 50  1  0
 50 51  1  0
 50 52  2  0
 46  3  1  0
 49  6  1  0
 46  8  2  0
 17 13  1  0
 44 23  2  0
 44 16  1  0
 33 28  1  0
 42 37  2  0
 32 30  1  0
 42 32  1  0
  1 53  1  0
  1 54  1  0
  1 55  1  0
  5 56  1  0
  9 57  1  0
 14 58  1  0
 14 59  1  0
 15 60  1  0
 15 61  1  0
 19 62  1  0
 22 63  1  0
 22 64  1  0
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 24 66  1  0
 29 67  1  0
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 31 71  1  0
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 39 74  1  0
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 47 80  1  0
 47 81  1  0
 48 82  1  0
 48 83  1  0
 51 84  1  0
 51 85  1  0
 51 86  1  0
M  END


  Mrv1652307012117043D          

 86 95  0  0  0  0            999 V2000
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   -5.5309    1.3188   -2.5516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1454    1.0663   -1.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4622    1.4092   -1.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1656    1.9973   -2.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0758    1.1644    0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3299    0.5704    1.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0083    0.2196    0.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0520   -0.3569    1.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8561   -0.4718    0.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6026   -1.0301    1.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910   -1.4956    2.6895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3928   -1.0773    0.7967 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013   -0.1270   -0.2652 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4563    0.1904    0.1369 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8936   -1.1386    0.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.1934   -3.9530    1.7565 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1864   -3.6672    1.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3304   -4.9552    2.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6159   -3.1586    1.3545 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3523   -2.0954    0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8012   -2.1375    0.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3700   -3.3002    1.1280 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7096   -1.1602    0.5472 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1773   -1.3790    0.4096 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5670   -0.3421   -0.6545 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6158   -0.4326   -1.8415 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.4607    0.6002   -0.7741 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5653    0.2400    0.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8457    1.1685    0.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8582    2.5712    0.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
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    6.7322    2.9910   -0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9825    4.1986   -1.0362 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8922    4.0291   -2.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2332    2.6806   -2.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2149    2.1131   -3.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4995    2.0119   -1.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4572   -1.1150    0.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1710   -1.6215    0.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1340    0.0482   -0.2336 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4228    0.4726   -0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2226    0.4492    2.2614 C   0  0  1  0  0  0  0  0  0  0  0  0
   -9.2887    1.5186    1.9659 C   0  0  2  0  0  0  0  0  0  0  0  0
   -9.3956    1.4129    0.4858 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6281    1.5155   -0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
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    1.8384   -6.9132    1.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.9902   -4.0903    1.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4157   -2.3960    0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
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    8.0811   -0.1781   -2.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8763   -1.2378   -1.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1832    0.8251    1.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5081    5.0691   -0.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6485   -0.1413    0.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4948    0.1282   -1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
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  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
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  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
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 40 42  1  0  0  0  0
 25 43  2  0  0  0  0
 43 44  1  0  0  0  0
 10 45  1  0  0  0  0
 45 46  1  0  0  0  0
  7 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 49 50  1  0  0  0  0
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 50 52  2  0  0  0  0
 46  3  1  0  0  0  0
 49  6  1  0  0  0  0
 46  8  2  0  0  0  0
 17 13  1  0  0  0  0
 44 23  2  0  0  0  0
 44 16  1  0  0  0  0
 33 28  1  0  0  0  0
 42 37  2  0  0  0  0
 32 30  1  0  0  0  0
 42 32  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  1 55  1  0  0  0  0
  5 56  1  0  0  0  0
  9 57  1  0  0  0  0
 14 58  1  0  0  0  0
 14 59  1  0  0  0  0
 15 60  1  0  0  0  0
 15 61  1  0  0  0  0
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 29 67  1  0  0  0  0
 29 68  1  0  0  0  0
 30 69  1  6  0  0  0
 31 70  1  0  0  0  0
 31 71  1  0  0  0  0
 34 72  1  0  0  0  0
 38 73  1  0  0  0  0
 39 74  1  0  0  0  0
 41 75  1  0  0  0  0
 41 76  1  0  0  0  0
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 43 78  1  0  0  0  0
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 47 81  1  0  0  0  0
 48 82  1  0  0  0  0
 48 83  1  0  0  0  0
 51 84  1  0  0  0  0
 51 85  1  0  0  0  0
 51 86  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0001659

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C(OC([H])([H])[H])C2=C(C([H])=C(N2[H])C(=O)N2C3=C([H])C(=O)C4=C(C(=C([H])N4[H])C([H])([H])[H])[C@]33C([H])([H])[C@]3([H])C2([H])[H])C2=C1N(C(=O)C1=C([H])C3=C(N1[H])C(OC([H])([H])[H])=C(O[H])C1=C3C([H])([H])C([H])([H])N1C(=O)C([H])([H])[H])C([H])([H])C2([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C38H34N6O8/c1-15-13-39-29-24(46)11-25-38(26(15)29)12-17(38)14-44(25)37(50)23-10-21-19-6-8-43(31(19)33(48)35(52-4)28(21)41-23)36(49)22-9-20-18-5-7-42(16(2)45)30(18)32(47)34(51-3)27(20)40-22/h9-11,13,17,39-41,47-48H,5-8,12,14H2,1-4H3/t17-,38+/m1/s1

> <INCHI_KEY>
XUBJLJZOSKJNMY-UHFFFAOYSA-N

> <FORMULA>
C38H34N6O8

> <MOLECULAR_WEIGHT>
702.724

> <EXACT_MASS>
702.243812079

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
86

> <JCHEM_AVERAGE_POLARIZABILITY>
76.27365257811026

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
5

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,12S)-10-(6-{6-acetyl-5-hydroxy-4-methoxy-3H,6H,7H,8H-pyrrolo[3,2-e]indole-2-carbonyl}-5-hydroxy-4-methoxy-3H,6H,7H,8H-pyrrolo[3,2-e]indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.0^{1,12}.0^{2,6}]trideca-2(6),3,8-trien-7-one

> <ALOGPS_LOGP>
3.72

> <JCHEM_LOGP>
1.203693054333332

> <ALOGPS_LOGS>
-4.00

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
10

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.655718601937073

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.053369543938658

> <JCHEM_PKA_STRONGEST_BASIC>
-3.348828404122798

> <JCHEM_POLAR_SURFACE_AREA>
184.29

> <JCHEM_REFRACTIVITY>
191.08249999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
7.03e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,12S)-10-(6-{6-acetyl-5-hydroxy-4-methoxy-3H,7H,8H-pyrrolo[3,2-e]indole-2-carbonyl}-5-hydroxy-4-methoxy-3H,7H,8H-pyrrolo[3,2-e]indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.0^{1,12}.0^{2,6}]trideca-2(6),3,8-trien-7-one

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 86 95  0  0  0  0  0  0  0  0999 V2000
   -4.8673    2.5698   -2.7765 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5309    1.3188   -2.5516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1454    1.0663   -1.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4622    1.4092   -1.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1656    1.9973   -2.1526 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0758    1.1644    0.0662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3299    0.5704    1.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0083    0.2196    0.9088 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0520   -0.3569    1.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8561   -0.4718    0.9722 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6026   -1.0301    1.4963 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6910   -1.4956    2.6895 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3928   -1.0773    0.7967 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0013   -0.1270   -0.2652 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4563    0.1904    0.1369 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8936   -1.1386    0.6846 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2302   -1.8830    0.9914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0915   -3.1573    1.4513 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1934   -3.9530    1.7565 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1864   -3.6672    1.6049 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3304   -4.9552    2.0735 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3870   -6.1048    1.2816 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2995   -2.9057    1.2963 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6159   -3.1586    1.3545 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3523   -2.0954    0.9438 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8012   -2.1375    0.8623 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3700   -3.3002    1.1280 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7096   -1.1602    0.5472 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1773   -1.3790    0.4096 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5670   -0.3421   -0.6545 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6158   -0.4326   -1.8415 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4607    0.6002   -0.7741 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5653    0.2400    0.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8457    1.1685    0.9552 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8582    2.5712    0.6017 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1580    3.4358    1.1811 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7322    2.9910   -0.4843 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9825    4.1986   -1.0362 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8922    4.0291   -2.0036 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2332    2.6806   -2.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2149    2.1131   -3.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4995    2.0119   -1.1109 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4572   -1.1150    0.6061 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1710   -1.6215    0.8274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1340    0.0482   -0.2336 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4228    0.4726   -0.2986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2226    0.4492    2.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2887    1.5186    1.9659 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3956    1.4129    0.4858 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6281    1.5155   -0.1838 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8950    1.2471   -1.6102 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6777    1.8777    0.4790 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8056    2.3105   -2.9455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2859    3.1145   -3.6329 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9651    3.2026   -1.8706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7985    2.2146   -3.0627 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2209   -0.6736    2.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5170    0.8252   -0.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0634   -0.6077   -1.2269 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9731    0.4659   -0.7890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5179    0.9315    0.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1079   -3.6406    1.5793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0070   -5.9751    0.3574 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8384   -6.9132    1.9104 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3758   -6.4894    0.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9902   -4.0903    1.6884 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4157   -2.3960    0.1061 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6206   -1.0326    1.3558 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6134   -0.1006   -0.7780 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0811   -0.1781   -2.7908 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8763   -1.2378   -1.9036 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1832    0.8251    1.7864 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5081    5.0691   -0.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3115    4.7868   -2.6393 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8942    1.3733   -2.6145 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8878    2.9520   -3.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7159    1.7835   -3.9930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6485   -0.1413    0.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4948    0.1282   -1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6870   -0.5576    2.2639 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7080    0.7012    3.2074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9153    2.5146    2.2497 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2518    1.2941    2.4373 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9940    0.9460   -1.7251 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2872    0.4139   -2.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8289    2.1587   -2.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  7  8  1  0
  8  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 11 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
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 17 18  1  0
 18 19  1  0
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 20 21  1  0
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 20 23  1  0
 23 24  1  0
 24 25  1  0
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 32 31  1  6
 32 33  1  0
 33 34  2  0
 34 35  1  0
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 37 38  1  0
 38 39  1  0
 39 40  2  0
 40 41  1  0
 40 42  1  0
 25 43  2  0
 43 44  1  0
 10 45  1  0
 45 46  1  0
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 51 86  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      -4.867   2.570  -2.777  0.00  0.00           C+0
HETATM    2  O   UNK     0      -5.531   1.319  -2.552  0.00  0.00           O+0
HETATM    3  C   UNK     0      -6.145   1.066  -1.322  0.00  0.00           C+0
HETATM    4  C   UNK     0      -7.462   1.409  -1.139  0.00  0.00           C+0
HETATM    5  O   UNK     0      -8.166   1.997  -2.153  0.00  0.00           O+0
HETATM    6  C   UNK     0      -8.076   1.164   0.066  0.00  0.00           C+0
HETATM    7  C   UNK     0      -7.330   0.570   1.075  0.00  0.00           C+0
HETATM    8  C   UNK     0      -6.008   0.220   0.909  0.00  0.00           C+0
HETATM    9  C   UNK     0      -5.052  -0.357   1.685  0.00  0.00           C+0
HETATM   10  C   UNK     0      -3.856  -0.472   0.972  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.603  -1.030   1.496  0.00  0.00           C+0
HETATM   12  O   UNK     0      -2.691  -1.496   2.689  0.00  0.00           O+0
HETATM   13  N   UNK     0      -1.393  -1.077   0.797  0.00  0.00           N+0
HETATM   14  C   UNK     0      -1.001  -0.127  -0.265  0.00  0.00           C+0
HETATM   15  C   UNK     0       0.456   0.190   0.137  0.00  0.00           C+0
HETATM   16  C   UNK     0       0.894  -1.139   0.685  0.00  0.00           C+0
HETATM   17  C   UNK     0      -0.230  -1.883   0.991  0.00  0.00           C+0
HETATM   18  C   UNK     0      -0.092  -3.157   1.451  0.00  0.00           C+0
HETATM   19  O   UNK     0      -1.193  -3.953   1.757  0.00  0.00           O+0
HETATM   20  C   UNK     0       1.186  -3.667   1.605  0.00  0.00           C+0
HETATM   21  O   UNK     0       1.330  -4.955   2.074  0.00  0.00           O+0
HETATM   22  C   UNK     0       1.387  -6.105   1.282  0.00  0.00           C+0
HETATM   23  C   UNK     0       2.300  -2.906   1.296  0.00  0.00           C+0
HETATM   24  N   UNK     0       3.616  -3.159   1.355  0.00  0.00           N+0
HETATM   25  C   UNK     0       4.352  -2.095   0.944  0.00  0.00           C+0
HETATM   26  C   UNK     0       5.801  -2.138   0.862  0.00  0.00           C+0
HETATM   27  O   UNK     0       6.370  -3.300   1.128  0.00  0.00           O+0
HETATM   28  N   UNK     0       6.710  -1.160   0.547  0.00  0.00           N+0
HETATM   29  C   UNK     0       8.177  -1.379   0.410  0.00  0.00           C+0
HETATM   30  C   UNK     0       8.567  -0.342  -0.655  0.00  0.00           C+0
HETATM   31  C   UNK     0       7.616  -0.433  -1.841  0.00  0.00           C+0
HETATM   32  C   UNK     0       7.461   0.600  -0.774  0.00  0.00           C+0
HETATM   33  C   UNK     0       6.565   0.240   0.361  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.846   1.169   0.955  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.858   2.571   0.602  0.00  0.00           C+0
HETATM   36  O   UNK     0       5.158   3.436   1.181  0.00  0.00           O+0
HETATM   37  C   UNK     0       6.732   2.991  -0.484  0.00  0.00           C+0
HETATM   38  N   UNK     0       6.982   4.199  -1.036  0.00  0.00           N+0
HETATM   39  C   UNK     0       7.892   4.029  -2.004  0.00  0.00           C+0
HETATM   40  C   UNK     0       8.233   2.681  -2.074  0.00  0.00           C+0
HETATM   41  C   UNK     0       9.215   2.113  -3.034  0.00  0.00           C+0
HETATM   42  C   UNK     0       7.500   2.012  -1.111  0.00  0.00           C+0
HETATM   43  C   UNK     0       3.457  -1.115   0.606  0.00  0.00           C+0
HETATM   44  C   UNK     0       2.171  -1.621   0.827  0.00  0.00           C+0
HETATM   45  N   UNK     0      -4.134   0.048  -0.234  0.00  0.00           N+0
HETATM   46  C   UNK     0      -5.423   0.473  -0.299  0.00  0.00           C+0
HETATM   47  C   UNK     0      -8.223   0.449   2.261  0.00  0.00           C+0
HETATM   48  C   UNK     0      -9.289   1.519   1.966  0.00  0.00           C+0
HETATM   49  N   UNK     0      -9.396   1.413   0.486  0.00  0.00           N+0
HETATM   50  C   UNK     0     -10.628   1.516  -0.184  0.00  0.00           C+0
HETATM   51  C   UNK     0     -10.895   1.247  -1.610  0.00  0.00           C+0
HETATM   52  O   UNK     0     -11.678   1.878   0.479  0.00  0.00           O+0
HETATM   53  H   UNK     0      -3.806   2.311  -2.946  0.00  0.00           H+0
HETATM   54  H   UNK     0      -5.286   3.115  -3.633  0.00  0.00           H+0
HETATM   55  H   UNK     0      -4.965   3.203  -1.871  0.00  0.00           H+0
HETATM   56  H   UNK     0      -7.798   2.215  -3.063  0.00  0.00           H+0
HETATM   57  H   UNK     0      -5.221  -0.674   2.709  0.00  0.00           H+0
HETATM   58  H   UNK     0      -1.517   0.825  -0.194  0.00  0.00           H+0
HETATM   59  H   UNK     0      -1.063  -0.608  -1.227  0.00  0.00           H+0
HETATM   60  H   UNK     0       0.973   0.466  -0.789  0.00  0.00           H+0
HETATM   61  H   UNK     0       0.518   0.932   0.927  0.00  0.00           H+0
HETATM   62  H   UNK     0      -2.108  -3.641   1.579  0.00  0.00           H+0
HETATM   63  H   UNK     0       2.007  -5.975   0.357  0.00  0.00           H+0
HETATM   64  H   UNK     0       1.838  -6.913   1.910  0.00  0.00           H+0
HETATM   65  H   UNK     0       0.376  -6.489   0.993  0.00  0.00           H+0
HETATM   66  H   UNK     0       3.990  -4.090   1.688  0.00  0.00           H+0
HETATM   67  H   UNK     0       8.416  -2.396   0.106  0.00  0.00           H+0
HETATM   68  H   UNK     0       8.621  -1.033   1.356  0.00  0.00           H+0
HETATM   69  H   UNK     0       9.613  -0.101  -0.778  0.00  0.00           H+0
HETATM   70  H   UNK     0       8.081  -0.178  -2.791  0.00  0.00           H+0
HETATM   71  H   UNK     0       6.876  -1.238  -1.904  0.00  0.00           H+0
HETATM   72  H   UNK     0       5.183   0.825   1.786  0.00  0.00           H+0
HETATM   73  H   UNK     0       6.508   5.069  -0.710  0.00  0.00           H+0
HETATM   74  H   UNK     0       8.312   4.787  -2.639  0.00  0.00           H+0
HETATM   75  H   UNK     0       9.894   1.373  -2.615  0.00  0.00           H+0
HETATM   76  H   UNK     0       9.888   2.952  -3.392  0.00  0.00           H+0
HETATM   77  H   UNK     0       8.716   1.784  -3.993  0.00  0.00           H+0
HETATM   78  H   UNK     0       3.648  -0.141   0.223  0.00  0.00           H+0
HETATM   79  H   UNK     0      -3.495   0.128  -1.050  0.00  0.00           H+0
HETATM   80  H   UNK     0      -8.687  -0.558   2.264  0.00  0.00           H+0
HETATM   81  H   UNK     0      -7.708   0.701   3.207  0.00  0.00           H+0
HETATM   82  H   UNK     0      -8.915   2.515   2.250  0.00  0.00           H+0
HETATM   83  H   UNK     0     -10.252   1.294   2.437  0.00  0.00           H+0
HETATM   84  H   UNK     0     -11.994   0.946  -1.725  0.00  0.00           H+0
HETATM   85  H   UNK     0     -10.287   0.414  -2.031  0.00  0.00           H+0
HETATM   86  H   UNK     0     -10.829   2.159  -2.231  0.00  0.00           H+0
CONECT    1    2   53   54   55                                             
CONECT    2    1    3                                                       
CONECT    3    2    4   46                                                  
CONECT    4    3    5    6                                                  
CONECT    5    4   56                                                       
CONECT    6    4    7   49                                                  
CONECT    7    6    8   47                                                  
CONECT    8    7    9   46                                                  
CONECT    9    8   10   57                                                  
CONECT   10    9   11   45                                                  
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   17                                                  
CONECT   14   13   15   58   59                                             
CONECT   15   14   16   60   61                                             
CONECT   16   15   17   44                                                  
CONECT   17   16   18   13                                                  
CONECT   18   17   19   20                                                  
CONECT   19   18   62                                                       
CONECT   20   18   21   23                                                  
CONECT   21   20   22                                                       
CONECT   22   21   63   64   65                                             
CONECT   23   20   24   44                                                  
CONECT   24   23   25   66                                                  
CONECT   25   24   26   43                                                  
CONECT   26   25   27   28                                                  
CONECT   27   26                                                            
CONECT   28   26   29   33                                                  
CONECT   29   28   30   67   68                                             
CONECT   30   29   31   32   69                                             
CONECT   31   30   32   70   71                                             
CONECT   32   31   33   30   42                                             
CONECT   33   32   34   28                                                  
CONECT   34   33   35   72                                                  
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   42                                                  
CONECT   38   37   39   73                                                  
CONECT   39   38   40   74                                                  
CONECT   40   39   41   42                                                  
CONECT   41   40   75   76   77                                             
CONECT   42   40   37   32                                                  
CONECT   43   25   44   78                                                  
CONECT   44   43   23   16                                                  
CONECT   45   10   46   79                                                  
CONECT   46   45    3    8                                                  
CONECT   47    7   48   80   81                                             
CONECT   48   47   49   82   83                                             
CONECT   49   48   50    6                                                  
CONECT   50   49   51   52                                                  
CONECT   51   50   84   85   86                                             
CONECT   52   50                                                            
CONECT   53    1                                                            
CONECT   54    1                                                            
CONECT   55    1                                                            
CONECT   56    5                                                            
CONECT   57    9                                                            
CONECT   58   14                                                            
CONECT   59   14                                                            
CONECT   60   15                                                            
CONECT   61   15                                                            
CONECT   62   19                                                            
CONECT   63   22                                                            
CONECT   64   22                                                            
CONECT   65   22                                                            
CONECT   66   24                                                            
CONECT   67   29                                                            
CONECT   68   29                                                            
CONECT   69   30                                                            
CONECT   70   31                                                            
CONECT   71   31                                                            
CONECT   72   34                                                            
CONECT   73   38                                                            
CONECT   74   39                                                            
CONECT   75   41                                                            
CONECT   76   41                                                            
CONECT   77   41                                                            
CONECT   78   43                                                            
CONECT   79   45                                                            
CONECT   80   47                                                            
CONECT   81   47                                                            
CONECT   82   48                                                            
CONECT   83   48                                                            
CONECT   84   51                                                            
CONECT   85   51                                                            
CONECT   86   51                                                            
MASTER        0    0    0    0    0    0    0    0   86    0  190    0
END

RDKit          3D

86 95  0  0  0  0  0  0  0  0999 V2000
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M  END

View in JSmol View NMR Assignments

Synonyms

Not Available

Chemical Formula

C₃₈H₃₄N₆O₈

Average Mass

702.7240 Da

Monoisotopic Mass

702.24381 Da

IUPAC Name

(1R,12S)-10-(6-{6-acetyl-5-hydroxy-4-methoxy-3H,6H,7H,8H-pyrrolo[3,2-e]indole-2-carbonyl}-5-hydroxy-4-methoxy-3H,6H,7H,8H-pyrrolo[3,2-e]indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.0^{1,12}.0^{2,6}]trideca-2(6),3,8-trien-7-one

Traditional Name

(1R,12S)-10-(6-{6-acetyl-5-hydroxy-4-methoxy-3H,7H,8H-pyrrolo[3,2-e]indole-2-carbonyl}-5-hydroxy-4-methoxy-3H,7H,8H-pyrrolo[3,2-e]indole-2-carbonyl)-3-methyl-5,10-diazatetracyclo[7.4.0.0^{1,12}.0^{2,6}]trideca-2(6),3,8-trien-7-one

CAS Registry Number

Not Available

SMILES

[H]OC1=C(OC([H])([H])[H])C2=C(C([H])=C(N2[H])C(=O)N2C3=C([H])C(=O)C4=C(C(=C([H])N4[H])C([H])([H])[H])[C@]33C([H])([H])[C@]3([H])C2([H])[H])C2=C1N(C(=O)C1=C([H])C3=C(N1[H])C(OC([H])([H])[H])=C(O[H])C1=C3C([H])([H])C([H])([H])N1C(=O)C([H])([H])[H])C([H])([H])C2([H])[H]

InChI Identifier

InChI=1S/C38H34N6O8/c1-15-13-39-29-24(46)11-25-38(26(15)29)12-17(38)14-44(25)37(50)23-10-21-19-6-8-43(31(19)33(48)35(52-4)28(21)41-23)36(49)22-9-20-18-5-7-42(16(2)45)30(18)32(47)34(51-3)27(20)40-22/h9-11,13,17,39-41,47-48H,5-8,12,14H2,1-4H3/t17-,38+/m1/s1

InChI Key

XUBJLJZOSKJNMY-UHFFFAOYSA-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	NPAtlas	10348041

Species Where Detected

Species Name	Source	Reference
Streptomyces sp. QM16	KNApSAcK Database	22123792

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as pyrroloindoles. Pyrroloindoles are compounds containing a pyrroloindole moiety, which is a tricyclic heterocycle which consists of a pyrrole ring fused to an indole. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Indole is a bicyclic compound consisting of a six-membered benzene ring fused to a five-membered nitrogen-containing pyrrole ring.

Kingdom

Organic compounds

Super Class

Organoheterocyclic compounds

Class

Indoles and derivatives

Sub Class

Pyrroloindoles

Direct Parent

Pyrroloindoles

Alternative Parents

Substituents

Indolecarboxamide derivative
Indolecarboxylic acid derivative
Pyrroloindole
Hydroxyindole
Indole
N-acyl-piperidine
2-heteroaryl carboxamide
Anisole
N-acylpyrrolidine
Pyrrole-2-carboxamide
Aryl ketone
Pyrrole-2-carboxylic acid or derivatives
Alkyl aryl ether
Piperidine
Benzenoid
Substituted pyrrole
Heteroaromatic compound
Acetamide
Vinylogous amide
Tertiary carboxylic acid amide
Pyrrole
Pyrrolidine
Ketone
Carboxamide group
Azacycle
Ether
Carboxylic acid derivative
Organonitrogen compound
Organic nitrogen compound
Hydrocarbon derivative
Organic oxide
Organopnictogen compound
Organooxygen compound
Organic oxygen compound
Carbonyl group
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

cyclic ketone (CHEBI:65964 )
aromatic ether (CHEBI:65964 )
phenols (CHEBI:65964 )
bridged compound (CHEBI:65964 )
organonitrogen heterocyclic compound (CHEBI:65964 )

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	3.72	ALOGPS
logP	1.2	ChemAxon
logS	-4	ALOGPS
pKa (Strongest Acidic)	8.05	ChemAxon
pKa (Strongest Basic)	-3.3	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	5	ChemAxon
Polar Surface Area	184.29 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	191.08 m³·mol⁻¹	ChemAxon
Polarizability	76.27 Å³	ChemAxon
Number of Rings	10	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA001823

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

C00015352

Chemspider ID

7986072

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

65964

Good Scents ID

Not Available

References

General References

Tokoro Y, Isoe T, Shindo K: Gilvusmycin, a new antitumor antibiotic related to CC-1065. J Antibiot (Tokyo). 1999 Mar;52(3):263-8. doi: 10.7164/antibiotics.52.263. [PubMed:10348041 ]
Wang X, Wu S, Jin W, Xu B, Tang G, Yuan H: Bioinformatics-guided connection of a biosynthetic gene cluster to the antitumor antibiotic gilvusmycin. Acta Biochim Biophys Sin (Shanghai). 2018 May 1;50(5):516-518. doi: 10.1093/abbs/gmy030. [PubMed:29659660 ]

Showing NP-Card for Gilvusmycin (NP0001659)

MOL for NP0001659 (Gilvusmycin)

3D MOL for NP0001659 (Gilvusmycin)

3D SDF for NP0001659 (Gilvusmycin)

3D-SDF for NP0001659 (Gilvusmycin)

PDB for NP0001659 (Gilvusmycin)

3D PDB for NP0001659 (Gilvusmycin)

SMILES for NP0001659 (Gilvusmycin)

INCHI for NP0001659 (Gilvusmycin)

Structure for NP0001659 (Gilvusmycin)

3D Structure for NP0001659 (Gilvusmycin)