NP-MRD: Showing NP-Card for (+)-Concanamycin F (NP0061507)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-04-28 06:16:48 UTC

Updated at

2022-04-28 06:16:48 UTC

NP-MRD ID

NP0061507

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(+)-Concanamycin F

Description

Concanamycin F, also known as concanolide a, belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members. (+)-Concanamycin F is found in Streptomyces sp. A1509. (+)-Concanamycin F was first documented in 2005 (PMID: 16101499). Based on a literature review very few articles have been published on Concanamycin F.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652304282208162D          

 49 50  0  0  1  0            999 V2000
    7.1606   11.4477    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6909   10.8157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5034   10.9590    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0337   10.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7515    9.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9391    9.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6569    8.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8444    8.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5623    7.7147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7498    7.5715    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2195    8.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4070    8.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1249    7.2849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8767    8.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1589    9.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714    9.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2535   10.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0660   10.5292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3482   11.3044    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8179   11.9364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5963    9.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5017    8.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0643    8.5489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340    9.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4676    6.7962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9979    6.1642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158    5.3890    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2461    4.7570    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9605    4.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9605    3.5195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2461    3.1070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5316    3.5195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5316    4.3445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8171    3.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027    3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3882    3.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2461    2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750    3.1070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7764    5.3890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9033    5.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8104    6.3075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6552    6.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0926    7.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9050    7.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2818    8.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7856   11.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4088   10.0405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4428   12.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   12.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 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
 18 19  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  1  0  0  0
 18 21  1  6  0  0  0
 16 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 10 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 33  1  0  0  0  0
 32 34  1  1  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 31 37  1  6  0  0  0
 30 38  1  1  0  0  0
 28 39  1  6  0  0  0
 27 40  1  1  0  0  0
 26 41  1  1  0  0  0
 25 42  1  6  0  0  0
  9 43  1  6  0  0  0
 43 44  1  0  0  0  0
  5 45  1  0  0  0  0
  3 46  1  6  0  0  0
  2 47  1  6  0  0  0
  1 48  1  1  0  0  0
 48 49  1  0  0  0  0
M  END

     RDKit          3D

113114  0  0  0  0  0  0  0  0999 V2000
  -10.5326    1.4687   -1.4760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2521    1.2087   -0.7799 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0609    0.0479   -0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7663   -0.2455    0.5254 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.7295    0.2357   -0.2362 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5053   -0.0150    0.3658 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.5824   -1.3132    0.9060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4009    0.0517   -0.6447 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4304    1.3044   -1.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0470   -0.2562   -0.1041 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5693    0.8154    0.6787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0493   -0.4588   -1.2195 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.5556   -1.4016   -2.2405 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6578   -0.7794   -0.6714 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.2723    0.4115   -0.0188 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5438    1.4103   -0.6395 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1157    2.5522   -0.8784 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9119    1.0620   -0.9934 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1808    0.9541   -2.4116 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8422    2.0360   -3.2501 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9443    0.8488   -0.1888 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1929    0.8839    1.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6868   -0.1546    2.1597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0168    1.7630    1.8502 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8075    2.8173    1.1816 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4052    3.7678    2.1533 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8013    2.2123    0.2124 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.7102    3.2908   -0.0267 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4755    0.9459    0.5806 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.5619    0.6321    2.0490 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8546   -0.0699    2.3741 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4598   -0.1913   -0.3664 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.7476   -0.6715   -0.7198 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6515   -1.4176   -0.0765 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.4942   -2.3784    0.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2620   -2.2303   -1.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9410   -2.1376   -1.8720 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0489   -1.7543   -3.3962 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6953   -2.2889   -1.4560 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0063   -2.6073   -0.2459 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8282   -2.5252    0.3013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5231   -2.0539   -0.0082 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0201   -3.1571   -0.7351 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9506   -3.9236   -0.1442 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3760    0.9159    1.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7008    1.3985    2.0599 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.9773    2.6287    1.4656 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8424    0.4495    1.8485 C   0  0  2  0  0  0  0  0  0  0  0  0
   -7.9609   -0.4739    3.0225 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8134    0.6009   -2.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4779    2.3932   -2.0831 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2868    1.6646   -0.6606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4487    1.9632   -0.7421 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8150   -0.7139   -0.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6892   -1.3372    0.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5661   -2.0100    0.2312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6399   -0.7818   -1.3833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5318    1.9296   -1.4093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2710    1.9892   -1.1666 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6140    1.1321   -2.5585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0721   -1.1833    0.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2734    1.5820    0.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9236    0.5440   -1.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2835   -2.1363   -1.8694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1511   -0.8019   -3.0005 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561   -1.8678   -2.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0441   -0.8581   -1.6397 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7697    2.2795   -3.2323 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675    2.8980   -2.9425 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1820    1.7288   -4.2758 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7846    0.3885   -0.8456 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8471   -1.1899    1.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1896    0.0105    3.1698 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6072   -0.0478    2.4310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0816    1.7042    2.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0918    3.3846    0.5555 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4970    3.9530    1.9294 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9600    4.8047    2.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2548    3.4958    3.2249 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3020    2.0963   -0.7611 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1328    4.0522   -0.2671 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6131    1.2986    0.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5800    1.5977    2.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6834    0.0699    2.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7433   -0.9430    3.0457 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4133   -0.2771    1.4446 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5558    0.6115    2.9547 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1135    0.2535   -1.3568 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7595   -1.0408   -1.6327 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7427   -1.2879    0.4967 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1367   -3.4204    0.5223 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5574   -2.3098    0.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1730   -2.2600    1.8360 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3551   -3.3398   -0.9605 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0654   -2.1730   -2.0561 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8811   -2.3084   -3.8319 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0967   -0.6562   -3.4720 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1308   -2.0867   -3.9121 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0308   -2.1532   -2.4002 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6684   -3.1865    0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7898   -2.9561    1.4095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1752   -2.0552    0.9132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2027   -4.7379   -0.8973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9267   -3.4701    0.0771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5586   -4.5193    0.7219 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8525    0.3990    2.3734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7727    1.8197    1.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5487    1.6262    3.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1502    3.1548    1.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7713    1.1074    1.8991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4389   -1.4149    2.8715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5793    0.0688    3.9218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0461   -0.6860    3.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
 31 30  1  0
 30 29  1  0
 29 32  1  0
 32 33  1  0
 32 34  1  0
 34 35  1  0
 34 36  1  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 39 40  1  0
 40 41  2  0
 41 42  1  0
 42 43  1  0
 43 44  1  0
 42 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 16 18  1  0
 18 19  1  0
 19 20  1  0
 18 21  2  0
 21 22  1  0
 22 23  1  0
 22 24  2  0
 24 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  1  0
 14 12  1  0
 12 13  1  0
 12 10  1  0
 10 11  1  0
 10  8  1  0
  8  9  1  0
  8  6  1  0
  6  7  1  1
  6 45  1  0
 45 46  1  0
 46 47  1  0
 46 48  1  0
 48 49  1  0
 48  4  1  0
  4  5  1  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
 27 29  1  0
  5  6  1  0
 31 85  1  0
 31 86  1  0
 31 87  1  0
 30 83  1  0
 30 84  1  0
 29 82  1  6
 32 88  1  6
 33 89  1  0
 34 90  1  1
 35 91  1  0
 35 92  1  0
 35 93  1  0
 36 94  1  0
 36 95  1  0
 38 96  1  0
 38 97  1  0
 38 98  1  0
 39 99  1  0
 40100  1  0
 41101  1  0
 42102  1  1
 44103  1  0
 44104  1  0
 44105  1  0
 14 67  1  6
 20 68  1  0
 20 69  1  0
 20 70  1  0
 21 71  1  0
 23 72  1  0
 23 73  1  0
 23 74  1  0
 24 75  1  0
 25 76  1  6
 26 77  1  0
 26 78  1  0
 26 79  1  0
 27 80  1  6
 28 81  1  0
 12 63  1  6
 13 64  1  0
 13 65  1  0
 13 66  1  0
 10 61  1  1
 11 62  1  0
  8 57  1  6
  9 58  1  0
  9 59  1  0
  9 60  1  0
  7 56  1  0
 45106  1  0
 45107  1  0
 46108  1  1
 47109  1  0
 48110  1  6
 49111  1  0
 49112  1  0
 49113  1  0
  4 55  1  1
  3 54  1  0
  2 53  1  0
  1 50  1  0
  1 51  1  0
  1 52  1  0
M  END


  Mrv1652304282208162D          

 49 50  0  0  1  0            999 V2000
    7.1606   11.4477    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6909   10.8157    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.5034   10.9590    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.0337   10.3270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7515    9.5517    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9391    9.4085    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6569    8.6332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8444    8.4900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5623    7.7147    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7498    7.5715    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.2195    8.2034    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4070    8.0602    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1249    7.2849    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8767    8.6922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1589    9.4674    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9714    9.6107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2535   10.3859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0660   10.5292    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.3482   11.3044    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.8179   11.9364    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5963    9.8972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5017    8.9787    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0643    8.5489    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5340    9.1809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4676    6.7962    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9979    6.1642    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158    5.3890    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.2461    4.7570    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9605    4.3445    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9605    3.5195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.2461    3.1070    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5316    3.5195    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5316    4.3445    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8171    3.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1027    3.5195    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3882    3.1070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2461    2.2820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6750    3.1070    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7764    5.3890    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9033    5.2457    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8104    6.3075    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6552    6.6529    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0926    7.0827    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9050    7.2260    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2818    8.9197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7856   11.7342    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4088   10.0405    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4428   12.2229    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9125   12.8549    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 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
 18 19  1  0  0  0  0
  1 19  1  0  0  0  0
 19 20  1  1  0  0  0
 18 21  1  6  0  0  0
 16 22  1  0  0  0  0
 14 23  1  0  0  0  0
 23 24  1  0  0  0  0
 10 25  1  1  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 28 27  1  1  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 28 33  1  0  0  0  0
 32 34  1  1  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 31 37  1  6  0  0  0
 30 38  1  1  0  0  0
 28 39  1  6  0  0  0
 27 40  1  1  0  0  0
 26 41  1  1  0  0  0
 25 42  1  6  0  0  0
  9 43  1  6  0  0  0
 43 44  1  0  0  0  0
  5 45  1  0  0  0  0
  3 46  1  6  0  0  0
  2 47  1  6  0  0  0
  1 48  1  1  0  0  0
 48 49  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0061507

> <DATABASE_NAME>
NP-MRD

> <SMILES>
CC[C@H]1[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@H](OC)[C@H](OC(=O)\C(OC)=C/C(/C)=C/[C@@H](C)[C@H]1O)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)\C=C\C

> <INCHI_IDENTIFIER>
InChI=1S/C39H64O10/c1-12-15-31-26(7)30(40)21-39(45,49-31)28(9)36(43)27(8)37-32(46-10)17-14-16-22(3)18-24(5)34(41)29(13-2)35(42)25(6)19-23(4)20-33(47-11)38(44)48-37/h12,14-17,19-20,24-32,34-37,40-43,45H,13,18,21H2,1-11H3/b15-12+,17-14+,22-16+,23-19+,33-20+/t24-,25-,26+,27+,28+,29+,30-,31-,32+,34+,35-,36-,37-,39-/m1/s1

> <INCHI_KEY>
YNZXLMPHTZVKJN-STTJUCNZSA-N

> <FORMULA>
C39H64O10

> <MOLECULAR_WEIGHT>
692.931

> <EXACT_MASS>
692.449948261

$$$$

HEADER    PROTEIN                                 28-APR-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   28-APR-22         0                                  
HETATM    1  C   UNK     0      13.367  21.369   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      14.356  20.189   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      15.873  20.457   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      16.863  19.277   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      16.336  17.830   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      14.820  17.562   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      14.293  16.115   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      12.776  15.848   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      12.250  14.401   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      10.733  14.133   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       9.743  15.313   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       8.226  15.046   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       7.700  13.599   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       7.237  16.225   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       7.763  17.673   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       9.280  17.940   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       9.807  19.387   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      11.323  19.654   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      11.850  21.102   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0      10.860  22.281   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0      12.313  18.475   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      10.270  16.760   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0       5.720  15.958   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       4.730  17.138   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      10.206  12.686   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      11.196  11.507   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      10.669  10.059   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      11.659   8.880   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      12.993   8.110   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      12.993   6.570   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      11.659   5.800   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      10.326   6.570   0.000  0.00  0.00           C+0
HETATM   33  O   UNK     0      10.326   8.110   0.000  0.00  0.00           O+0
HETATM   34  C   UNK     0       8.992   5.800   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       7.658   6.570   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.325   5.800   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      11.659   4.260   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0      14.327   5.800   0.000  0.00  0.00           O+0
HETATM   39  O   UNK     0      12.649  10.059   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0       9.153   9.792   0.000  0.00  0.00           C+0
HETATM   41  O   UNK     0      12.713  11.774   0.000  0.00  0.00           O+0
HETATM   42  C   UNK     0       8.690  12.419   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      13.239  13.221   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      14.756  13.489   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0      17.326  16.650   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0      16.400  21.904   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      13.830  18.742   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      13.893  22.816   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      12.903  23.996   0.000  0.00  0.00           C+0
CONECT    1    2   19   48                                                  
CONECT    2    1    3   47                                                  
CONECT    3    2    4   46                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   45                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9                                                       
CONECT    9    8   10   43                                                  
CONECT   10    9   11   25                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   14                                                  
CONECT   13   12                                                            
CONECT   14   12   15   23                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   22                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   21                                                  
CONECT   19   18    1   20                                                  
CONECT   20   19                                                            
CONECT   21   18                                                            
CONECT   22   16                                                            
CONECT   23   14   24                                                       
CONECT   24   23                                                            
CONECT   25   10   26   42                                                  
CONECT   26   25   27   41                                                  
CONECT   27   26   28   40                                                  
CONECT   28   27   29   33   39                                             
CONECT   29   28   30                                                       
CONECT   30   29   31   38                                                  
CONECT   31   30   32   37                                                  
CONECT   32   31   33   34                                                  
CONECT   33   32   28                                                       
CONECT   34   32   35                                                       
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   31                                                            
CONECT   38   30                                                            
CONECT   39   28                                                            
CONECT   40   27                                                            
CONECT   41   26                                                            
CONECT   42   25                                                            
CONECT   43    9   44                                                       
CONECT   44   43                                                            
CONECT   45    5                                                            
CONECT   46    3                                                            
CONECT   47    2                                                            
CONECT   48    1   49                                                       
CONECT   49   48                                                            
MASTER        0    0    0    0    0    0    0    0   49    0  100    0
END

View in JSmol

Synonyms

Value	Source
Concanolide a	MeSH

Chemical Formula

C₃₉H₆₄O₁₀

Average Mass

692.9310 Da

Monoisotopic Mass

692.44995 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

CC[C@H]1[C@@H](O)[C@H](C)C\C(C)=C\C=C\[C@H](OC)[C@H](OC(=O)\C(OC)=C/C(/C)=C/[C@@H](C)[C@H]1O)[C@@H](C)[C@@H](O)[C@H](C)[C@@]1(O)C[C@@H](O)[C@H](C)[C@H](O1)\C=C\C

InChI Identifier

InChI=1S/C39H64O10/c1-12-15-31-26(7)30(40)21-39(45,49-31)28(9)36(43)27(8)37-32(46-10)17-14-16-22(3)18-24(5)34(41)29(13-2)35(42)25(6)19-23(4)20-33(47-11)38(44)48-37/h12,14-17,19-20,24-32,34-37,40-43,45H,13,18,21H2,1-11H3/b15-12+,17-14+,22-16+,23-19+,33-20+/t24-,25-,26+,27+,28+,29+,30-,31-,32+,34+,35-,36-,37-,39-/m1/s1

InChI Key

YNZXLMPHTZVKJN-STTJUCNZSA-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 sp. A1509	Bacteria	KNApSAcK

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as macrolides and analogues. These are organic compounds containing a lactone ring of at least twelve members.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Macrolides and analogues

Sub Class

Not Available

Direct Parent

Macrolides and analogues

Alternative Parents

Substituents

Macrolide
Oxane
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Carboxylic acid ester
Hemiacetal
Lactone
Secondary alcohol
Carboxylic acid derivative
Dialkyl ether
Ether
Oxacycle
Monocarboxylic acid or derivatives
Organoheterocyclic compound
Carbonyl group
Organic oxide
Hydrocarbon derivative
Alcohol
Organic oxygen compound
Organooxygen compound
Aliphatic heteromonocyclic compound

Molecular Framework

Aliphatic heteromonocyclic compounds

External Descriptors

Not Available

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

C00016720

Chemspider ID

4952772

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

6450148

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Dai WM, Guan Y, Jin J: Structures and total syntheses of the plecomacrolides. Curr Med Chem. 2005;12(17):1947-93. doi: 10.2174/0929867054546591. [PubMed:16101499 ]

Showing NP-Card for (+)-Concanamycin F (NP0061507)

MOL for NP0061507 ((+)-Concanamycin F)

3D MOL for NP0061507 ((+)-Concanamycin F)

3D SDF for NP0061507 ((+)-Concanamycin F)

3D-SDF for NP0061507 ((+)-Concanamycin F)

PDB for NP0061507 ((+)-Concanamycin F)

3D PDB for NP0061507 ((+)-Concanamycin F)

SMILES for NP0061507 ((+)-Concanamycin F)

INCHI for NP0061507 ((+)-Concanamycin F)

Structure for NP0061507 ((+)-Concanamycin F)

3D Structure for NP0061507 ((+)-Concanamycin F)