NP-MRD: Showing NP-Card for Naphthomycin K (NP0001803)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2020-10-21 16:38:20 UTC

Updated at

2024-09-12 20:06:27 UTC

NP-MRD ID

NP0001803

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Naphthomycin K

Provided By

NPAtlas

Description

Naphthomycin K belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. Naphthomycin K is found in Streptomyces and Streptomyces sp. (strain Go 40/10). Naphthomycin K was first documented in 1999 (PMID: 10513843). Based on a literature review very few articles have been published on Naphthomycin K (PMID: 17965482).

Structure

MOL SDF PDB SMILES InChI

NP0001803
  Mrv2104 05272322383D          

 96 98  0  0  0  0            999 V2000
    4.9777   -1.1036   -2.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.5775   -0.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3153   -2.2038   -0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6545   -2.6757    0.7268 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8569   -3.9538    0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482   -5.0729    1.0965 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6702   -4.0584   -0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0808   -2.9564   -0.7939 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4708   -2.6134   -0.2088 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3152   -2.0521    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4922   -3.7771   -0.2883 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3596   -4.3945   -1.5888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0044   -3.3986   -0.1043 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4411   -3.3267    1.3646 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1456   -4.5681    2.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4460   -2.3135   -1.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9114   -1.0456   -1.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2604   -0.3407   -2.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1806   -0.2661    0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4974   -0.7859    1.3015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3189    1.2089    0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6068    1.7225    0.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6423    0.9098    0.8115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8845    3.0864    0.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2599    3.6323    0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8370    3.9487   -0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5343    3.4609   -0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2649    2.0951   -0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8721    1.6522   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5476    0.4721   -0.2065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859    2.6522   -0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5073    2.1263   -0.5178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407    3.9628   -0.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0997    4.9965   -0.6795 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.0522    5.0137    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1085    5.6212    1.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2224    4.3404   -0.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2979    4.0811    0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4813    3.4061   -0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4463    2.9782    0.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6374    2.2790    0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4748    1.7104    1.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7501    0.9376    0.7433 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2654    1.0363   -0.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7010   -0.5419    1.2275 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3872   -0.6051    2.6214 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8324   -1.5267    0.4321 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3444   -1.2457    0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8345   -0.8249    1.5548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4603    4.4316   -0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7156    5.6197   -0.6964 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7856   -1.7379   -2.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -1.1150   -2.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3353   -0.0725   -1.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7350   -2.3736   -1.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9869   -1.8881    1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3933   -2.8567    1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8155   -5.8097    1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1893   -5.0336   -0.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5073   -2.0309   -0.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1821   -3.2420   -1.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8354   -1.8091   -0.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5146   -1.3083    1.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0918   -2.8363    1.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2191   -1.5315    1.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -4.5483    0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8256   -5.2488   -1.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458   -4.2852   -0.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -3.1832    1.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9466   -2.5424    1.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9831   -4.9050    2.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3227   -2.7007   -2.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5354    0.4476   -2.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2683   -1.0245   -3.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2613    0.1016   -2.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2674    0.1004    1.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0087    3.0690   -0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4920    3.5794    1.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3379    4.6800    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0293    5.0181   -0.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5991    1.1629   -0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5972    5.8795   -0.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1548    4.0511   -1.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2916    4.3701    1.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568    3.2287   -1.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3339    3.1292    1.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8211    2.2151   -0.9431 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2348    1.7951    2.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5044    1.4331    1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2252    0.5212   -0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4247    2.0816   -0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5726    0.5977   -1.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7282   -0.9229    1.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -0.5131    2.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1696   -1.5602   -0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9671   -2.5346    0.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  3  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  3  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  3  0  0  0
 38 39  1  0  0  0  0
 39 40  2  3  0  0  0
 40 41  1  0  0  0  0
 41 42  2  3  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 33 50  1  0  0  0  0
 50 51  2  0  0  0  0
 48  2  1  0  0  0  0
 28 21  1  0  0  0  0
 50 27  1  0  0  0  0
  1 52  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  3 55  1  0  0  0  0
  4 56  1  0  0  0  0
  4 57  1  0  0  0  0
  6 58  1  0  0  0  0
  7 59  1  0  0  0  0
  8 60  1  0  0  0  0
  8 61  1  0  0  0  0
  9 62  1  6  0  0  0
 10 63  1  0  0  0  0
 10 64  1  0  0  0  0
 10 65  1  0  0  0  0
 11 66  1  1  0  0  0
 12 67  1  0  0  0  0
 13 68  1  6  0  0  0
 14 69  1  0  0  0  0
 14 70  1  0  0  0  0
 15 71  1  0  0  0  0
 16 72  1  0  0  0  0
 18 73  1  0  0  0  0
 18 74  1  0  0  0  0
 18 75  1  0  0  0  0
 23 76  1  0  0  0  0
 25 77  1  0  0  0  0
 25 78  1  0  0  0  0
 25 79  1  0  0  0  0
 26 80  1  0  0  0  0
 32 81  1  0  0  0  0
 34 82  1  0  0  0  0
 37 83  1  0  0  0  0
 38 84  1  0  0  0  0
 39 85  1  0  0  0  0
 40 86  1  0  0  0  0
 41 87  1  0  0  0  0
 42 88  1  0  0  0  0
 43 89  1  1  0  0  0
 44 90  1  0  0  0  0
 44 91  1  0  0  0  0
 44 92  1  0  0  0  0
 45 93  1  1  0  0  0
 46 94  1  0  0  0  0
 47 95  1  0  0  0  0
 47 96  1  0  0  0  0
M  END

NP0001803
  Mrv2104 05272322383D          

 96 98  0  0  0  0            999 V2000
    4.9777   -1.1036   -2.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000   -1.5775   -0.6803 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3153   -2.2038   -0.5423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6545   -2.6757    0.7268 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.8569   -3.9538    0.5299 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4482   -5.0729    1.0965 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6702   -4.0584   -0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0808   -2.9564   -0.7939 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.4708   -2.6134   -0.2088 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.3152   -2.0521    1.2043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4922   -3.7771   -0.2883 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.3596   -4.3945   -1.5888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0044   -3.3986   -0.1043 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.4411   -3.3267    1.3646 C   0  0  2  0  0  0  0  0  0  0  0  0
   -4.1456   -4.5681    2.0112 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4460   -2.3135   -1.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9114   -1.0456   -1.0232 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2604   -0.3407   -2.3139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1806   -0.2661    0.2336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4974   -0.7859    1.3015 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3189    1.2089    0.1658 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6068    1.7225    0.4192 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6423    0.9098    0.8115 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8845    3.0864    0.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2599    3.6323    0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8370    3.9487   -0.0454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5343    3.4609   -0.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2649    2.0951   -0.1191 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8721    1.6522   -0.2595 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5476    0.4721   -0.2065 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7859    2.6522   -0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5073    2.1263   -0.5178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0407    3.9628   -0.5551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0997    4.9965   -0.6795 N   0  0  2  0  0  0  0  0  0  0  0  0
    0.0522    5.0137    0.0697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1085    5.6212    1.1364 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2224    4.3404   -0.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2979    4.0811    0.2170 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4813    3.4061   -0.2710 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4463    2.9782    0.5575 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6374    2.2790    0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4748    1.7104    1.0082 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7501    0.9376    0.7433 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.2654    1.0363   -0.6973 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7010   -0.5419    1.2275 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3872   -0.6051    2.6214 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8324   -1.5267    0.4321 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3444   -1.2457    0.5148 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8345   -0.8249    1.5548 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4603    4.4316   -0.5185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7156    5.6197   -0.6964 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7856   -1.7379   -2.3925 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1763   -1.1150   -2.7642 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3353   -0.0725   -1.9603 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7350   -2.3736   -1.4472 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9869   -1.8881    1.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3933   -2.8567    1.5176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8155   -5.8097    1.0563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1893   -5.0336   -0.1636 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5073   -2.0309   -0.8105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1821   -3.2420   -1.8499 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8354   -1.8091   -0.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5146   -1.3083    1.2422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0918   -2.8363    1.9336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2191   -1.5315    1.5239 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2090   -4.5483    0.4385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8256   -5.2488   -1.5397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5458   -4.2852   -0.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5245   -3.1832    1.4251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9466   -2.5424    1.9335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9831   -4.9050    2.3786 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3227   -2.7007   -2.1016 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5354    0.4476   -2.5401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2683   -1.0245   -3.1713 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2613    0.1016   -2.2592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2674    0.1004    1.2236 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0087    3.0690   -0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4920    3.5794    1.6143 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3379    4.6800    0.2361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0293    5.0181   -0.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5991    1.1629   -0.3510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5972    5.8795   -0.5331 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1548    4.0511   -1.5836 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2916    4.3701    1.2684 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5568    3.2287   -1.3415 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3339    3.1292    1.6304 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8211    2.2151   -0.9431 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2348    1.7951    2.0710 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5044    1.4331    1.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2252    0.5212   -0.7955 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4247    2.0816   -0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5726    0.5977   -1.4207 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7282   -0.9229    1.1571 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4125   -0.5131    2.6937 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1696   -1.5602   -0.6073 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9671   -2.5346    0.8488 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  3  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  3  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  2  0  0  0  0
 26 27  1  0  0  0  0
 27 28  2  0  0  0  0
 28 29  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  2  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  2  3  0  0  0
 38 39  1  0  0  0  0
 39 40  2  3  0  0  0
 40 41  1  0  0  0  0
 41 42  2  3  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  2  0  0  0  0
 33 50  1  0  0  0  0
 50 51  2  0  0  0  0
 48  2  1  0  0  0  0
 28 21  1  0  0  0  0
 50 27  1  0  0  0  0
  1 52  1  0  0  0  0
  1 53  1  0  0  0  0
  1 54  1  0  0  0  0
  3 55  1  0  0  0  0
  4 56  1  0  0  0  0
  4 57  1  0  0  0  0
  6 58  1  0  0  0  0
  7 59  1  0  0  0  0
  8 60  1  0  0  0  0
  8 61  1  0  0  0  0
  9 62  1  6  0  0  0
 10 63  1  0  0  0  0
 10 64  1  0  0  0  0
 10 65  1  0  0  0  0
 11 66  1  1  0  0  0
 12 67  1  0  0  0  0
 13 68  1  6  0  0  0
 14 69  1  0  0  0  0
 14 70  1  0  0  0  0
 15 71  1  0  0  0  0
 16 72  1  0  0  0  0
 18 73  1  0  0  0  0
 18 74  1  0  0  0  0
 18 75  1  0  0  0  0
 23 76  1  0  0  0  0
 25 77  1  0  0  0  0
 25 78  1  0  0  0  0
 25 79  1  0  0  0  0
 26 80  1  0  0  0  0
 32 81  1  0  0  0  0
 34 82  1  0  0  0  0
 37 83  1  0  0  0  0
 38 84  1  0  0  0  0
 39 85  1  0  0  0  0
 40 86  1  0  0  0  0
 41 87  1  0  0  0  0
 42 88  1  0  0  0  0
 43 89  1  1  0  0  0
 44 90  1  0  0  0  0
 44 91  1  0  0  0  0
 44 92  1  0  0  0  0
 45 93  1  1  0  0  0
 46 94  1  0  0  0  0
 47 95  1  0  0  0  0
 47 96  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0001803

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C2N([H])C(=O)C([H])=C([H])C([H])=C([H])C([H])=C([H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C(=O)C(=C([H])C([H])([H])C(O[H])=C([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(\C([H])=C(/C(=O)C3=C(O[H])C(=C([H])C(C2=O)=C3C1=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1/C39H45NO11/c1-20-10-8-6-7-9-11-30(45)40-33-37(49)27-17-24(5)36(48)32(31(27)38(50)39(33)51)35(47)23(4)16-25(19-41)34(46)22(3)13-15-26(42)14-12-21(2)29(44)18-28(20)43/h6-12,15-17,20,22,25,28,34,41-43,46,48,51H,13-14,18-19H2,1-5H3,(H,40,45)/b7-6+,10-8+,11-9+,21-12-,23-16-,26-15+/t20-,22-,25+,28-,34-/s2

> <INCHI_KEY>
LMFQVLHFSMIMQA-OYBJEICFNA-N

> <FORMULA>
C39H45NO11

> <MOLECULAR_WEIGHT>
703.785

> <EXACT_MASS>
703.299261273

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
75.5046037562044

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
7

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(7Z,9R,10S,11S,20S,21S)-4,10,14,20,31-pentahydroxy-9-(hydroxymethyl)-3,7,11,17,21-pentamethyl-29-azatricyclo[28.3.1.0^{5,33}]tetratriaconta-1(33),2,4,7,13,16,22,24,26,30-decaene-6,18,28,32,34-pentone

> <JCHEM_LOGP>
3.3262863513333345

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-2

> <JCHEM_PKA>
7.189270776328168

> <JCHEM_PKA_STRONGEST_ACIDIC>
5.367929978149983

> <JCHEM_PKA_STRONGEST_BASIC>
-2.645478620357605

> <JCHEM_POLAR_SURFACE_AREA>
218.75999999999996

> <JCHEM_REFRACTIVITY>
200.77410000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
1

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(7Z,9R,10S,11S,20S,21S)-4,10,14,20,31-pentahydroxy-9-(hydroxymethyl)-3,7,11,17,21-pentamethyl-29-azatricyclo[28.3.1.0^{5,33}]tetratriaconta-1(33),2,4,7,13,16,22,24,26,30-decaene-6,18,28,32,34-pentone

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 27-MAY-23   NONE
TITLE     NULL                                                        
COMPND    MOLECULE: NP0001803                                         
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   27-MAY-23         0                                  
HETATM    1  C   UNK     0       4.978  -1.104  -2.019  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.500  -1.577  -0.680  0.00  0.00           C+0
HETATM    3  C   UNK     0       3.315  -2.204  -0.542  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.655  -2.676   0.727  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.857  -3.954   0.530  0.00  0.00           C+0
HETATM    6  O   UNK     0       2.448  -5.073   1.097  0.00  0.00           O+0
HETATM    7  C   UNK     0       0.670  -4.058  -0.096  0.00  0.00           C+0
HETATM    8  C   UNK     0      -0.081  -2.956  -0.794  0.00  0.00           C+0
HETATM    9  C   UNK     0      -1.471  -2.613  -0.209  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.315  -2.052   1.204  0.00  0.00           C+0
HETATM   11  C   UNK     0      -2.492  -3.777  -0.288  0.00  0.00           C+0
HETATM   12  O   UNK     0      -2.360  -4.394  -1.589  0.00  0.00           O+0
HETATM   13  C   UNK     0      -4.004  -3.399  -0.104  0.00  0.00           C+0
HETATM   14  C   UNK     0      -4.441  -3.327   1.365  0.00  0.00           C+0
HETATM   15  O   UNK     0      -4.146  -4.568   2.011  0.00  0.00           O+0
HETATM   16  C   UNK     0      -4.446  -2.313  -1.085  0.00  0.00           C+0
HETATM   17  C   UNK     0      -4.911  -1.046  -1.023  0.00  0.00           C+0
HETATM   18  C   UNK     0      -5.260  -0.341  -2.314  0.00  0.00           C+0
HETATM   19  C   UNK     0      -5.181  -0.266   0.234  0.00  0.00           C+0
HETATM   20  O   UNK     0      -5.497  -0.786   1.302  0.00  0.00           O+0
HETATM   21  C   UNK     0      -5.319   1.209   0.166  0.00  0.00           C+0
HETATM   22  C   UNK     0      -6.607   1.722   0.419  0.00  0.00           C+0
HETATM   23  O   UNK     0      -7.642   0.910   0.812  0.00  0.00           O+0
HETATM   24  C   UNK     0      -6.885   3.086   0.288  0.00  0.00           C+0
HETATM   25  C   UNK     0      -8.260   3.632   0.546  0.00  0.00           C+0
HETATM   26  C   UNK     0      -5.837   3.949  -0.045  0.00  0.00           C+0
HETATM   27  C   UNK     0      -4.534   3.461  -0.228  0.00  0.00           C+0
HETATM   28  C   UNK     0      -4.265   2.095  -0.119  0.00  0.00           C+0
HETATM   29  C   UNK     0      -2.872   1.652  -0.260  0.00  0.00           C+0
HETATM   30  O   UNK     0      -2.548   0.472  -0.207  0.00  0.00           O+0
HETATM   31  C   UNK     0      -1.786   2.652  -0.449  0.00  0.00           C+0
HETATM   32  O   UNK     0      -0.507   2.126  -0.518  0.00  0.00           O+0
HETATM   33  C   UNK     0      -2.041   3.963  -0.555  0.00  0.00           C+0
HETATM   34  N   UNK     0      -1.100   4.997  -0.680  0.00  0.00           N+0
HETATM   35  C   UNK     0       0.052   5.014   0.070  0.00  0.00           C+0
HETATM   36  O   UNK     0       0.109   5.621   1.136  0.00  0.00           O+0
HETATM   37  C   UNK     0       1.222   4.340  -0.543  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.298   4.081   0.217  0.00  0.00           C+0
HETATM   39  C   UNK     0       3.481   3.406  -0.271  0.00  0.00           C+0
HETATM   40  C   UNK     0       4.446   2.978   0.558  0.00  0.00           C+0
HETATM   41  C   UNK     0       5.637   2.279   0.126  0.00  0.00           C+0
HETATM   42  C   UNK     0       6.475   1.710   1.008  0.00  0.00           C+0
HETATM   43  C   UNK     0       7.750   0.938   0.743  0.00  0.00           C+0
HETATM   44  C   UNK     0       8.265   1.036  -0.697  0.00  0.00           C+0
HETATM   45  C   UNK     0       7.701  -0.542   1.228  0.00  0.00           C+0
HETATM   46  O   UNK     0       7.387  -0.605   2.621  0.00  0.00           O+0
HETATM   47  C   UNK     0       6.832  -1.527   0.432  0.00  0.00           C+0
HETATM   48  C   UNK     0       5.344  -1.246   0.515  0.00  0.00           C+0
HETATM   49  O   UNK     0       4.835  -0.825   1.555  0.00  0.00           O+0
HETATM   50  C   UNK     0      -3.460   4.432  -0.519  0.00  0.00           C+0
HETATM   51  O   UNK     0      -3.716   5.620  -0.696  0.00  0.00           O+0
HETATM   52  H   UNK     0       5.786  -1.738  -2.393  0.00  0.00           H+0
HETATM   53  H   UNK     0       4.176  -1.115  -2.764  0.00  0.00           H+0
HETATM   54  H   UNK     0       5.335  -0.073  -1.960  0.00  0.00           H+0
HETATM   55  H   UNK     0       2.735  -2.374  -1.447  0.00  0.00           H+0
HETATM   56  H   UNK     0       1.987  -1.888   1.099  0.00  0.00           H+0
HETATM   57  H   UNK     0       3.393  -2.857   1.518  0.00  0.00           H+0
HETATM   58  H   UNK     0       1.815  -5.810   1.056  0.00  0.00           H+0
HETATM   59  H   UNK     0       0.189  -5.034  -0.164  0.00  0.00           H+0
HETATM   60  H   UNK     0       0.507  -2.031  -0.811  0.00  0.00           H+0
HETATM   61  H   UNK     0      -0.182  -3.242  -1.850  0.00  0.00           H+0
HETATM   62  H   UNK     0      -1.835  -1.809  -0.859  0.00  0.00           H+0
HETATM   63  H   UNK     0      -0.515  -1.308   1.242  0.00  0.00           H+0
HETATM   64  H   UNK     0      -1.092  -2.836   1.934  0.00  0.00           H+0
HETATM   65  H   UNK     0      -2.219  -1.532   1.524  0.00  0.00           H+0
HETATM   66  H   UNK     0      -2.209  -4.548   0.439  0.00  0.00           H+0
HETATM   67  H   UNK     0      -2.826  -5.249  -1.540  0.00  0.00           H+0
HETATM   68  H   UNK     0      -4.546  -4.285  -0.477  0.00  0.00           H+0
HETATM   69  H   UNK     0      -5.524  -3.183   1.425  0.00  0.00           H+0
HETATM   70  H   UNK     0      -3.947  -2.542   1.934  0.00  0.00           H+0
HETATM   71  H   UNK     0      -4.983  -4.905   2.379  0.00  0.00           H+0
HETATM   72  H   UNK     0      -4.323  -2.701  -2.102  0.00  0.00           H+0
HETATM   73  H   UNK     0      -4.535   0.448  -2.540  0.00  0.00           H+0
HETATM   74  H   UNK     0      -5.268  -1.024  -3.171  0.00  0.00           H+0
HETATM   75  H   UNK     0      -6.261   0.102  -2.259  0.00  0.00           H+0
HETATM   76  H   UNK     0      -7.267   0.100   1.224  0.00  0.00           H+0
HETATM   77  H   UNK     0      -9.009   3.069  -0.019  0.00  0.00           H+0
HETATM   78  H   UNK     0      -8.492   3.579   1.614  0.00  0.00           H+0
HETATM   79  H   UNK     0      -8.338   4.680   0.236  0.00  0.00           H+0
HETATM   80  H   UNK     0      -6.029   5.018  -0.134  0.00  0.00           H+0
HETATM   81  H   UNK     0      -0.599   1.163  -0.351  0.00  0.00           H+0
HETATM   82  H   UNK     0      -1.597   5.880  -0.533  0.00  0.00           H+0
HETATM   83  H   UNK     0       1.155   4.051  -1.584  0.00  0.00           H+0
HETATM   84  H   UNK     0       2.292   4.370   1.268  0.00  0.00           H+0
HETATM   85  H   UNK     0       3.557   3.229  -1.341  0.00  0.00           H+0
HETATM   86  H   UNK     0       4.334   3.129   1.630  0.00  0.00           H+0
HETATM   87  H   UNK     0       5.821   2.215  -0.943  0.00  0.00           H+0
HETATM   88  H   UNK     0       6.235   1.795   2.071  0.00  0.00           H+0
HETATM   89  H   UNK     0       8.504   1.433   1.373  0.00  0.00           H+0
HETATM   90  H   UNK     0       9.225   0.521  -0.796  0.00  0.00           H+0
HETATM   91  H   UNK     0       8.425   2.082  -0.978  0.00  0.00           H+0
HETATM   92  H   UNK     0       7.573   0.598  -1.421  0.00  0.00           H+0
HETATM   93  H   UNK     0       8.728  -0.923   1.157  0.00  0.00           H+0
HETATM   94  H   UNK     0       6.412  -0.513   2.694  0.00  0.00           H+0
HETATM   95  H   UNK     0       7.170  -1.560  -0.607  0.00  0.00           H+0
HETATM   96  H   UNK     0       6.967  -2.535   0.849  0.00  0.00           H+0
CONECT    1    2   52   53   54                                             
CONECT    2    1    3   48                                                  
CONECT    3    2    4   55                                                  
CONECT    4    3    5   56   57                                             
CONECT    5    4    6    7                                                  
CONECT    6    5   58                                                       
CONECT    7    5    8   59                                                  
CONECT    8    7    9   60   61                                             
CONECT    9    8   10   11   62                                             
CONECT   10    9   63   64   65                                             
CONECT   11    9   12   13   66                                             
CONECT   12   11   67                                                       
CONECT   13   11   14   16   68                                             
CONECT   14   13   15   69   70                                             
CONECT   15   14   71                                                       
CONECT   16   13   17   72                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17   73   74   75                                             
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   28                                                  
CONECT   22   21   23   24                                                  
CONECT   23   22   76                                                       
CONECT   24   22   25   26                                                  
CONECT   25   24   77   78   79                                             
CONECT   26   24   27   80                                                  
CONECT   27   26   28   50                                                  
CONECT   28   27   29   21                                                  
CONECT   29   28   30   31                                                  
CONECT   30   29                                                            
CONECT   31   29   32   33                                                  
CONECT   32   31   81                                                       
CONECT   33   31   34   50                                                  
CONECT   34   33   35   82                                                  
CONECT   35   34   36   37                                                  
CONECT   36   35                                                            
CONECT   37   35   38   83                                                  
CONECT   38   37   39   84                                                  
CONECT   39   38   40   85                                                  
CONECT   40   39   41   86                                                  
CONECT   41   40   42   87                                                  
CONECT   42   41   43   88                                                  
CONECT   43   42   44   45   89                                             
CONECT   44   43   90   91   92                                             
CONECT   45   43   46   47   93                                             
CONECT   46   45   94                                                       
CONECT   47   45   48   95   96                                             
CONECT   48   47   49    2                                                  
CONECT   49   48                                                            
CONECT   50   33   51   27                                                  
CONECT   51   50                                                            
CONECT   52    1                                                            
CONECT   53    1                                                            
CONECT   54    1                                                            
CONECT   55    3                                                            
CONECT   56    4                                                            
CONECT   57    4                                                            
CONECT   58    6                                                            
CONECT   59    7                                                            
CONECT   60    8                                                            
CONECT   61    8                                                            
CONECT   62    9                                                            
CONECT   63   10                                                            
CONECT   64   10                                                            
CONECT   65   10                                                            
CONECT   66   11                                                            
CONECT   67   12                                                            
CONECT   68   13                                                            
CONECT   69   14                                                            
CONECT   70   14                                                            
CONECT   71   15                                                            
CONECT   72   16                                                            
CONECT   73   18                                                            
CONECT   74   18                                                            
CONECT   75   18                                                            
CONECT   76   23                                                            
CONECT   77   25                                                            
CONECT   78   25                                                            
CONECT   79   25                                                            
CONECT   80   26                                                            
CONECT   81   32                                                            
CONECT   82   34                                                            
CONECT   83   37                                                            
CONECT   84   38                                                            
CONECT   85   39                                                            
CONECT   86   40                                                            
CONECT   87   41                                                            
CONECT   88   42                                                            
CONECT   89   43                                                            
CONECT   90   44                                                            
CONECT   91   44                                                            
CONECT   92   44                                                            
CONECT   93   45                                                            
CONECT   94   46                                                            
CONECT   95   47                                                            
CONECT   96   47                                                            
MASTER        0    0    0    0    0    0    0    0   96    0  196    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₉H₄₅NO₁₁

Average Mass

703.7850 Da

Monoisotopic Mass

703.29926 Da

IUPAC Name

(7Z,9R,10S,11S,20S,21S)-4,10,14,20,31-pentahydroxy-9-(hydroxymethyl)-3,7,11,17,21-pentamethyl-29-azatricyclo[28.3.1.0^{5,33}]tetratriaconta-1(33),2,4,7,13,16,22,24,26,30-decaene-6,18,28,32,34-pentone

Traditional Name

(7Z,9R,10S,11S,20S,21S)-4,10,14,20,31-pentahydroxy-9-(hydroxymethyl)-3,7,11,17,21-pentamethyl-29-azatricyclo[28.3.1.0^{5,33}]tetratriaconta-1(33),2,4,7,13,16,22,24,26,30-decaene-6,18,28,32,34-pentone

CAS Registry Number

Not Available

SMILES

[H]OC1=C2N([H])C(=O)C([H])=C([H])C([H])=C([H])C([H])=C([H])[C@]([H])(C([H])([H])[H])[C@@]([H])(O[H])C([H])([H])C(=O)C(=C([H])C([H])([H])C(O[H])=C([H])C([H])([H])[C@]([H])(C([H])([H])[H])[C@]([H])(O[H])[C@]([H])(\C([H])=C(/C(=O)C3=C(O[H])C(=C([H])C(C2=O)=C3C1=O)C([H])([H])[H])C([H])([H])[H])C([H])([H])O[H])C([H])([H])[H]

InChI Identifier

InChI=1/C39H45NO11/c1-20-10-8-6-7-9-11-30(45)40-33-37(49)27-17-24(5)36(48)32(31(27)38(50)39(33)51)35(47)23(4)16-25(19-41)34(46)22(3)13-15-26(42)14-12-21(2)29(44)18-28(20)43/h6-12,15-17,20,22,25,28,34,41-43,46,48,51H,13-14,18-19H2,1-5H3,(H,40,45)/b7-6+,10-8+,11-9+,21-12-,23-16-,26-15+/t20-,22-,25+,28-,34-/s2

InChI Key

LMFQVLHFSMIMQA-OYBJEICFNA-N

Experimental Spectra

Not Available

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Streptomyces	NPAtlas	10513843
Streptomyces sp. (strain Go 40/10)	Bacteria	KNApSAcK

Chemical Taxonomy

Description

This compound belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Naphthoquinone
Naphthalene
Aryl ketone
Quinone
B'-hydroxy-alpha,beta-unsaturated-ketone
Alpha-branched alpha,beta-unsaturated-ketone
Benzenoid
N-acyl-amine
Beta-hydroxy ketone
Vinylogous amide
Vinylogous acid
Alpha,beta-unsaturated ketone
Enone
Alpha-hydroxy ketone
Acryloyl-group
Cyclic ketone
Secondary alcohol
Lactam
Ketone
Carboxamide group
Azacycle
Organoheterocyclic compound
Carboxylic acid derivative
Organic nitrogen compound
Organic oxygen compound
Organopnictogen compound
Organic oxide
Hydrocarbon derivative
Organooxygen compound
Organonitrogen compound
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic 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
logP	3.33	ChemAxon
pKa (Strongest Acidic)	5.37	ChemAxon
pKa (Strongest Basic)	-2.6	ChemAxon
Physiological Charge	-2	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	7	ChemAxon
Polar Surface Area	218.76 Å²	ChemAxon
Rotatable Bond Count	1	ChemAxon
Refractivity	200.77 m³·mol⁻¹	ChemAxon
Polarizability	75.5 Å³	ChemAxon
Number of Rings	3	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

NPAtlas ID

NPA011553

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

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

Not Available

Good Scents ID

Not Available

References

General References

Schiewe HJ, Zeeck A: Cineromycins, gamma-butyrolactones and ansamycins by analysis of the secondary metabolite pattern created by a single strain of Streptomyces. J Antibiot (Tokyo). 1999 Jul;52(7):635-42. doi: 10.7164/antibiotics.52.635. [PubMed:10513843 ]
Lu C, Shen Y: A novel ansamycin, naphthomycin K from Streptomyces sp. J Antibiot (Tokyo). 2007 Oct;60(10):649-53. doi: 10.1038/ja.2007.84. [PubMed:17965482 ]

Showing NP-Card for Naphthomycin K (NP0001803)

MOL for NP0001803 (Naphthomycin K)

3D MOL for NP0001803 (Naphthomycin K)

3D SDF for NP0001803 (Naphthomycin K)

3D-SDF for NP0001803 (Naphthomycin K)

PDB for NP0001803 (Naphthomycin K)

3D PDB for NP0001803 (Naphthomycin K)

SMILES for NP0001803 (Naphthomycin K)

INCHI for NP0001803 (Naphthomycin K)

Structure for NP0001803 (Naphthomycin K)

3D Structure for NP0001803 (Naphthomycin K)