NP-MRD: Showing NP-Card for Neopikromycin (NP0006391)

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Record Information

Version

2.0

Created at

2020-12-09 03:25:12 UTC

Updated at

2021-07-15 16:54:40 UTC

NP-MRD ID

NP0006391

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Neopikromycin

Provided By

NPAtlas

Description

Neopikromycin is found in Streptomyces venezuelae. Neopikromycin was first documented in 2006 (PMID: 16724858).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652307012119053D          

 84 85  0  0  0  0            999 V2000
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    1.6544    1.7724    3.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9794   -0.5828    2.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8147   -0.7468    3.9292 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6511   -1.5416    1.2118 C   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
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M  END

     RDKit          3D

 84 85  0  0  0  0  0  0  0  0999 V2000
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   -3.0818   -0.0622   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4261   -2.7221    0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1453   -1.3515   -1.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3362   -1.1174   -1.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0424   -2.7373   -1.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4439   -0.1631   -0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5911   -1.0701    1.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3332    0.4144    2.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0535    3.2599    1.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6614    3.6561    1.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6068    2.5104    2.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6090    2.1167   -0.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327    1.1444   -0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0346    2.9291   -0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1864    1.4176    1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9484    0.8322    3.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 12 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 32 36  1  0
 36 37  1  0
 25  2  1  0
 36 27  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  6
  3 42  1  0
  3 43  1  0
  4 44  1  6
  5 45  1  0
  5 46  1  0
  5 47  1  0
  8 48  1  0
  9 49  1  0
 10 50  1  1
 11 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  1
 13 55  1  6
 14 56  1  0
 14 57  1  0
 14 58  1  0
 15 59  1  0
 19 60  1  1
 20 61  1  0
 20 62  1  0
 20 63  1  0
 23 64  1  1
 24 65  1  0
 24 66  1  0
 24 67  1  0
 25 68  1  6
 27 69  1  6
 29 70  1  1
 30 71  1  0
 30 72  1  0
 30 73  1  0
 31 74  1  0
 31 75  1  0
 32 76  1  1
 34 77  1  0
 34 78  1  0
 34 79  1  0
 35 80  1  0
 35 81  1  0
 35 82  1  0
 36 83  1  6
 37 84  1  0
M  END


  Mrv1652307012119053D          

 84 85  0  0  0  0            999 V2000
   -0.5070    2.0771   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0699    0.7193    0.2098 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0626    0.6696    1.7221 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5367    0.7315    2.1710 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6544    1.7724    3.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9794   -0.5828    2.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8147   -0.7468    3.9292 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526   -1.6735    1.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6511   -1.5416    1.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4498   -0.3323    1.0400 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9081   -0.7648    1.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4288    0.2292   -0.3733 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7570    0.9809   -0.5939 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6245    1.7156   -1.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9491    1.9587    0.3669 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3421   -0.7051   -1.3729 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4841   -0.9685   -2.3833 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5731   -0.6219   -3.5930 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2675   -1.7632   -2.0856 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0397   -2.6712   -3.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0500   -0.9793   -1.8697 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8925    0.0749   -2.4515 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0021   -1.4644   -0.9395 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.8694   -2.4664   -1.6837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8421   -0.3423   -0.3646 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6790   -0.7614    0.6360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0353   -0.5315    0.3562 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6842   -1.7340    0.4880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0164   -1.7092    0.1691 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1248   -1.7173   -1.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8092   -0.6037    0.7650 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0704    0.4652    1.4593 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5644    1.7909    1.0578 N   0  0  1  0  0  0  0  0  0  0  0  0
   -4.8867    2.8453    1.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5449    1.9923   -0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5842    0.4091    1.3910 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9966    0.0508    2.6172 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3259    2.7324   -0.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0773    2.5088    0.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1921    1.9420   -1.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1013    0.6230   -0.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4939    1.5128    2.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -0.3008    2.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0789    1.1433    1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4441    1.5110    4.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6752    1.8080    3.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8156    2.7893    2.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0650   -2.6845    1.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9965   -2.4604    0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2705    0.4775    1.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9124   -1.4595    2.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5452    0.0758    1.5993 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3314   -1.3346    0.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767    1.0418   -0.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6005    0.2852   -0.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4649    2.4570   -1.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6999    2.3171   -1.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6088    1.0389   -2.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0481    2.2946    0.6182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4027   -2.4335   -1.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5436   -2.0956   -4.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0436   -2.9510   -3.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5056   -3.5935   -3.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287   -2.0128   -0.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6005   -2.4761   -2.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9503   -2.2113   -1.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7438   -3.4975   -1.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4444    0.0939   -1.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0818   -0.0622   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4261   -2.7221    0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1453   -1.3515   -1.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3362   -1.1174   -1.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0424   -2.7373   -1.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4439   -0.1631   -0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5911   -1.0701    1.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3332    0.4144    2.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0535    3.2599    1.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6614    3.6561    1.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6068    2.5104    2.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6090    2.1167   -0.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327    1.1444   -0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0346    2.9291   -0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1864    1.4176    1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9484    0.8322    3.2283 H   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
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 12 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 32 36  1  0  0  0  0
 36 37  1  0  0  0  0
 25  2  1  0  0  0  0
 36 27  1  0  0  0  0
  1 38  1  0  0  0  0
  1 39  1  0  0  0  0
  1 40  1  0  0  0  0
  2 41  1  6  0  0  0
  3 42  1  0  0  0  0
  3 43  1  0  0  0  0
  4 44  1  6  0  0  0
  5 45  1  0  0  0  0
  5 46  1  0  0  0  0
  5 47  1  0  0  0  0
  8 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 50  1  1  0  0  0
 11 51  1  0  0  0  0
 11 52  1  0  0  0  0
 11 53  1  0  0  0  0
 12 54  1  1  0  0  0
 13 55  1  6  0  0  0
 14 56  1  0  0  0  0
 14 57  1  0  0  0  0
 14 58  1  0  0  0  0
 15 59  1  0  0  0  0
 19 60  1  1  0  0  0
 20 61  1  0  0  0  0
 20 62  1  0  0  0  0
 20 63  1  0  0  0  0
 23 64  1  1  0  0  0
 24 65  1  0  0  0  0
 24 66  1  0  0  0  0
 24 67  1  0  0  0  0
 25 68  1  6  0  0  0
 27 69  1  6  0  0  0
 29 70  1  1  0  0  0
 30 71  1  0  0  0  0
 30 72  1  0  0  0  0
 30 73  1  0  0  0  0
 31 74  1  0  0  0  0
 31 75  1  0  0  0  0
 32 76  1  1  0  0  0
 34 77  1  0  0  0  0
 34 78  1  0  0  0  0
 34 79  1  0  0  0  0
 35 80  1  0  0  0  0
 35 81  1  0  0  0  0
 35 82  1  0  0  0  0
 36 83  1  6  0  0  0
 37 84  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0006391

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]O[C@]([H])(C([H])([H])[H])[C@@]1([H])OC(=O)[C@@]([H])(C(=O)[C@]([H])(C([H])([H])[H])[C@@]([H])(O[C@@]2([H])O[C@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(N(C([H])([H])[H])C([H])([H])[H])[C@@]2([H])O[H])[C@@]([H])(C([H])([H])[H])C([H])([H])[C@]([H])(C(=O)\C([H])=C([H])/[C@@]1([H])C([H])([H])[H])C([H])([H])[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/b11-10-/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28-/m1/s1

> <INCHI_KEY>
SXXXXTQMWPXIES-KSNFSMCBSA-N

> <FORMULA>
C28H47NO8

> <MOLECULAR_WEIGHT>
525.683

> <EXACT_MASS>
525.330167477

> <JCHEM_ACCEPTOR_COUNT>
8

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
56.87134974768632

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(3R,5R,6S,7S,9R,11Z,13R,14S)-6-{[(2R,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-[(1R)-1-hydroxyethyl]-3,5,7,9,13-pentamethyl-1-oxacyclotetradec-11-ene-2,4,10-trione

> <ALOGPS_LOGP>
1.94

> <JCHEM_LOGP>
3.660465698423884

> <ALOGPS_LOGS>
-3.57

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
2

> <JCHEM_PHYSIOLOGICAL_CHARGE>
1

> <JCHEM_PKA>
12.8218522962644

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.84357878538248

> <JCHEM_PKA_STRONGEST_BASIC>
7.650264609288397

> <JCHEM_POLAR_SURFACE_AREA>
122.60000000000001

> <JCHEM_REFRACTIVITY>
140.20779999999996

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.42e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(3R,5R,6S,7S,9R,11Z,13R,14S)-6-{[(2R,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-[(1R)-1-hydroxyethyl]-3,5,7,9,13-pentamethyl-1-oxacyclotetradec-11-ene-2,4,10-trione

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 84 85  0  0  0  0  0  0  0  0999 V2000
   -0.5070    2.0771   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0699    0.7193    0.2098 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.0626    0.6696    1.7221 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5367    0.7315    2.1710 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.6544    1.7724    3.2822 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9794   -0.5828    2.6663 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8147   -0.7468    3.9292 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5526   -1.6735    1.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6511   -1.5416    1.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4498   -0.3323    1.0400 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.9081   -0.7648    1.3233 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4288    0.2292   -0.3733 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7570    0.9809   -0.5939 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.6245    1.7156   -1.9301 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5731   -0.6219   -3.5930 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.0397   -2.6712   -3.3047 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.8421   -0.3423   -0.3646 C   0  0  1  0  0  0  0  0  0  0  0  0
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   -3.6842   -1.7340    0.4880 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0164   -1.7092    0.1691 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.1248   -1.7173   -1.3619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8092   -0.6037    0.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0704    0.4652    1.4593 C   0  0  2  0  0  0  0  0  0  0  0  0
   -5.5644    1.7909    1.0578 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8867    2.8453    1.7831 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5449    1.9923   -0.3599 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5842    0.4091    1.3910 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9966    0.0508    2.6172 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3259    2.7324   -0.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0773    2.5088    0.6541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1921    1.9420   -1.0259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1013    0.6230   -0.1984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4939    1.5128    2.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3207   -0.3008    2.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0789    1.1433    1.3285 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4441    1.5110    4.0150 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6752    1.8080    3.7984 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8156    2.7893    2.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0650   -2.6845    1.9580 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9965   -2.4604    0.6802 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2705    0.4775    1.7662 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9124   -1.4595    2.2139 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5452    0.0758    1.5993 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3314   -1.3346    0.4988 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6767    1.0418   -0.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6005    0.2852   -0.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4649    2.4570   -1.9814 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6999    2.3171   -1.8954 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6088    1.0389   -2.7821 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0481    2.2946    0.6182 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4027   -2.4335   -1.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5436   -2.0956   -4.0850 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0436   -2.9510   -3.6601 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5056   -3.5935   -3.0012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4287   -2.0128   -0.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6005   -2.4761   -2.7679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9503   -2.2113   -1.5847 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7438   -3.4975   -1.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4444    0.0939   -1.1882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0818   -0.0622   -0.6295 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4261   -2.7221    0.4636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1453   -1.3515   -1.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3362   -1.1174   -1.8381 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0424   -2.7373   -1.7640 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4439   -0.1631   -0.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5911   -1.0701    1.4384 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3332    0.4144    2.5604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0535    3.2599    1.1992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6614    3.6561    1.9227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6068    2.5104    2.7966 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6090    2.1167   -0.6876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1327    1.1444   -0.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0346    2.9291   -0.6661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1864    1.4176    1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9484    0.8322    3.2283 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  4  6  1  0
  6  7  2  0
  6  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  1  0
 12 13  1  0
 13 14  1  0
 13 15  1  0
 12 16  1  0
 16 17  1  0
 17 18  2  0
 17 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  2  0
 21 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  0
 29 30  1  0
 29 31  1  0
 31 32  1  0
 32 33  1  0
 33 34  1  0
 33 35  1  0
 32 36  1  0
 36 37  1  0
 25  2  1  0
 36 27  1  0
  1 38  1  0
  1 39  1  0
  1 40  1  0
  2 41  1  6
  3 42  1  0
  3 43  1  0
  4 44  1  6
  5 45  1  0
  5 46  1  0
  5 47  1  0
  8 48  1  0
  9 49  1  0
 10 50  1  1
 11 51  1  0
 11 52  1  0
 11 53  1  0
 12 54  1  1
 13 55  1  6
 14 56  1  0
 14 57  1  0
 14 58  1  0
 15 59  1  0
 19 60  1  1
 20 61  1  0
 20 62  1  0
 20 63  1  0
 23 64  1  1
 24 65  1  0
 24 66  1  0
 24 67  1  0
 25 68  1  6
 27 69  1  6
 29 70  1  1
 30 71  1  0
 30 72  1  0
 30 73  1  0
 31 74  1  0
 31 75  1  0
 32 76  1  1
 34 77  1  0
 34 78  1  0
 34 79  1  0
 35 80  1  0
 35 81  1  0
 35 82  1  0
 36 83  1  6
 37 84  1  0
M  END

HEADER    PROTEIN                                 01-JUL-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   01-JUL-21         0                                  
HETATM    1  C   UNK     0      -0.507   2.077  -0.178  0.00  0.00           C+0
HETATM    2  C   UNK     0       0.070   0.719   0.210  0.00  0.00           C+0
HETATM    3  C   UNK     0       0.063   0.670   1.722  0.00  0.00           C+0
HETATM    4  C   UNK     0       1.537   0.732   2.171  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.654   1.772   3.282  0.00  0.00           C+0
HETATM    6  C   UNK     0       1.979  -0.583   2.666  0.00  0.00           C+0
HETATM    7  O   UNK     0       1.815  -0.747   3.929  0.00  0.00           O+0
HETATM    8  C   UNK     0       2.553  -1.674   1.929  0.00  0.00           C+0
HETATM    9  C   UNK     0       3.651  -1.542   1.212  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.450  -0.332   1.040  0.00  0.00           C+0
HETATM   11  C   UNK     0       5.908  -0.765   1.323  0.00  0.00           C+0
HETATM   12  C   UNK     0       4.429   0.229  -0.373  0.00  0.00           C+0
HETATM   13  C   UNK     0       5.757   0.981  -0.594  0.00  0.00           C+0
HETATM   14  C   UNK     0       5.625   1.716  -1.930  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.949   1.959   0.367  0.00  0.00           O+0
HETATM   16  O   UNK     0       4.342  -0.705  -1.373  0.00  0.00           O+0
HETATM   17  C   UNK     0       3.484  -0.969  -2.383  0.00  0.00           C+0
HETATM   18  O   UNK     0       3.573  -0.622  -3.593  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.268  -1.763  -2.086  0.00  0.00           C+0
HETATM   20  C   UNK     0       2.040  -2.671  -3.305  0.00  0.00           C+0
HETATM   21  C   UNK     0       1.050  -0.979  -1.870  0.00  0.00           C+0
HETATM   22  O   UNK     0       0.893   0.075  -2.451  0.00  0.00           O+0
HETATM   23  C   UNK     0      -0.002  -1.464  -0.940  0.00  0.00           C+0
HETATM   24  C   UNK     0      -0.869  -2.466  -1.684  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.842  -0.342  -0.365  0.00  0.00           C+0
HETATM   26  O   UNK     0      -1.679  -0.761   0.636  0.00  0.00           O+0
HETATM   27  C   UNK     0      -3.035  -0.532   0.356  0.00  0.00           C+0
HETATM   28  O   UNK     0      -3.684  -1.734   0.488  0.00  0.00           O+0
HETATM   29  C   UNK     0      -5.016  -1.709   0.169  0.00  0.00           C+0
HETATM   30  C   UNK     0      -5.125  -1.717  -1.362  0.00  0.00           C+0
HETATM   31  C   UNK     0      -5.809  -0.604   0.765  0.00  0.00           C+0
HETATM   32  C   UNK     0      -5.070   0.465   1.459  0.00  0.00           C+0
HETATM   33  N   UNK     0      -5.564   1.791   1.058  0.00  0.00           N+0
HETATM   34  C   UNK     0      -4.887   2.845   1.783  0.00  0.00           C+0
HETATM   35  C   UNK     0      -5.545   1.992  -0.360  0.00  0.00           C+0
HETATM   36  C   UNK     0      -3.584   0.409   1.391  0.00  0.00           C+0
HETATM   37  O   UNK     0      -2.997   0.051   2.617  0.00  0.00           O+0
HETATM   38  H   UNK     0       0.326   2.732  -0.508  0.00  0.00           H+0
HETATM   39  H   UNK     0      -1.077   2.509   0.654  0.00  0.00           H+0
HETATM   40  H   UNK     0      -1.192   1.942  -1.026  0.00  0.00           H+0
HETATM   41  H   UNK     0       1.101   0.623  -0.198  0.00  0.00           H+0
HETATM   42  H   UNK     0      -0.494   1.513   2.181  0.00  0.00           H+0
HETATM   43  H   UNK     0      -0.321  -0.301   2.042  0.00  0.00           H+0
HETATM   44  H   UNK     0       2.079   1.143   1.329  0.00  0.00           H+0
HETATM   45  H   UNK     0       2.444   1.511   4.015  0.00  0.00           H+0
HETATM   46  H   UNK     0       0.675   1.808   3.798  0.00  0.00           H+0
HETATM   47  H   UNK     0       1.816   2.789   2.849  0.00  0.00           H+0
HETATM   48  H   UNK     0       2.065  -2.684   1.958  0.00  0.00           H+0
HETATM   49  H   UNK     0       3.997  -2.460   0.680  0.00  0.00           H+0
HETATM   50  H   UNK     0       4.271   0.478   1.766  0.00  0.00           H+0
HETATM   51  H   UNK     0       5.912  -1.460   2.214  0.00  0.00           H+0
HETATM   52  H   UNK     0       6.545   0.076   1.599  0.00  0.00           H+0
HETATM   53  H   UNK     0       6.331  -1.335   0.499  0.00  0.00           H+0
HETATM   54  H   UNK     0       3.677   1.042  -0.375  0.00  0.00           H+0
HETATM   55  H   UNK     0       6.601   0.285  -0.710  0.00  0.00           H+0
HETATM   56  H   UNK     0       6.465   2.457  -1.981  0.00  0.00           H+0
HETATM   57  H   UNK     0       4.700   2.317  -1.895  0.00  0.00           H+0
HETATM   58  H   UNK     0       5.609   1.039  -2.782  0.00  0.00           H+0
HETATM   59  H   UNK     0       5.048   2.295   0.618  0.00  0.00           H+0
HETATM   60  H   UNK     0       2.403  -2.434  -1.213  0.00  0.00           H+0
HETATM   61  H   UNK     0       1.544  -2.096  -4.085  0.00  0.00           H+0
HETATM   62  H   UNK     0       3.044  -2.951  -3.660  0.00  0.00           H+0
HETATM   63  H   UNK     0       1.506  -3.594  -3.001  0.00  0.00           H+0
HETATM   64  H   UNK     0       0.429  -2.013  -0.066  0.00  0.00           H+0
HETATM   65  H   UNK     0      -0.601  -2.476  -2.768  0.00  0.00           H+0
HETATM   66  H   UNK     0      -1.950  -2.211  -1.585  0.00  0.00           H+0
HETATM   67  H   UNK     0      -0.744  -3.498  -1.308  0.00  0.00           H+0
HETATM   68  H   UNK     0      -1.444   0.094  -1.188  0.00  0.00           H+0
HETATM   69  H   UNK     0      -3.082  -0.062  -0.630  0.00  0.00           H+0
HETATM   70  H   UNK     0      -5.426  -2.722   0.464  0.00  0.00           H+0
HETATM   71  H   UNK     0      -6.145  -1.351  -1.631  0.00  0.00           H+0
HETATM   72  H   UNK     0      -4.336  -1.117  -1.838  0.00  0.00           H+0
HETATM   73  H   UNK     0      -5.042  -2.737  -1.764  0.00  0.00           H+0
HETATM   74  H   UNK     0      -6.444  -0.163  -0.061  0.00  0.00           H+0
HETATM   75  H   UNK     0      -6.591  -1.070   1.438  0.00  0.00           H+0
HETATM   76  H   UNK     0      -5.333   0.414   2.560  0.00  0.00           H+0
HETATM   77  H   UNK     0      -4.053   3.260   1.199  0.00  0.00           H+0
HETATM   78  H   UNK     0      -5.661   3.656   1.923  0.00  0.00           H+0
HETATM   79  H   UNK     0      -4.607   2.510   2.797  0.00  0.00           H+0
HETATM   80  H   UNK     0      -6.609   2.117  -0.688  0.00  0.00           H+0
HETATM   81  H   UNK     0      -5.133   1.144  -0.903  0.00  0.00           H+0
HETATM   82  H   UNK     0      -5.035   2.929  -0.666  0.00  0.00           H+0
HETATM   83  H   UNK     0      -3.186   1.418   1.154  0.00  0.00           H+0
HETATM   84  H   UNK     0      -2.948   0.832   3.228  0.00  0.00           H+0
CONECT    1    2   38   39   40                                             
CONECT    2    1    3   25   41                                             
CONECT    3    2    4   42   43                                             
CONECT    4    3    5    6   44                                             
CONECT    5    4   45   46   47                                             
CONECT    6    4    7    8                                                  
CONECT    7    6                                                            
CONECT    8    6    9   48                                                  
CONECT    9    8   10   49                                                  
CONECT   10    9   11   12   50                                             
CONECT   11   10   51   52   53                                             
CONECT   12   10   13   16   54                                             
CONECT   13   12   14   15   55                                             
CONECT   14   13   56   57   58                                             
CONECT   15   13   59                                                       
CONECT   16   12   17                                                       
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21   60                                             
CONECT   20   19   61   62   63                                             
CONECT   21   19   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21   24   25   64                                             
CONECT   24   23   65   66   67                                             
CONECT   25   23   26    2   68                                             
CONECT   26   25   27                                                       
CONECT   27   26   28   36   69                                             
CONECT   28   27   29                                                       
CONECT   29   28   30   31   70                                             
CONECT   30   29   71   72   73                                             
CONECT   31   29   32   74   75                                             
CONECT   32   31   33   36   76                                             
CONECT   33   32   34   35                                                  
CONECT   34   33   77   78   79                                             
CONECT   35   33   80   81   82                                             
CONECT   36   32   37   27   83                                             
CONECT   37   36   84                                                       
CONECT   38    1                                                            
CONECT   39    1                                                            
CONECT   40    1                                                            
CONECT   41    2                                                            
CONECT   42    3                                                            
CONECT   43    3                                                            
CONECT   44    4                                                            
CONECT   45    5                                                            
CONECT   46    5                                                            
CONECT   47    5                                                            
CONECT   48    8                                                            
CONECT   49    9                                                            
CONECT   50   10                                                            
CONECT   51   11                                                            
CONECT   52   11                                                            
CONECT   53   11                                                            
CONECT   54   12                                                            
CONECT   55   13                                                            
CONECT   56   14                                                            
CONECT   57   14                                                            
CONECT   58   14                                                            
CONECT   59   15                                                            
CONECT   60   19                                                            
CONECT   61   20                                                            
CONECT   62   20                                                            
CONECT   63   20                                                            
CONECT   64   23                                                            
CONECT   65   24                                                            
CONECT   66   24                                                            
CONECT   67   24                                                            
CONECT   68   25                                                            
CONECT   69   27                                                            
CONECT   70   29                                                            
CONECT   71   30                                                            
CONECT   72   30                                                            
CONECT   73   30                                                            
CONECT   74   31                                                            
CONECT   75   31                                                            
CONECT   76   32                                                            
CONECT   77   34                                                            
CONECT   78   34                                                            
CONECT   79   34                                                            
CONECT   80   35                                                            
CONECT   81   35                                                            
CONECT   82   35                                                            
CONECT   83   36                                                            
CONECT   84   37                                                            
MASTER        0    0    0    0    0    0    0    0   84    0  170    0
END

RDKit          3D

84 85  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

C₂₈H₄₇NO₈

Average Mass

525.6830 Da

Monoisotopic Mass

525.33017 Da

IUPAC Name

(3R,5R,6S,7S,9R,11Z,13R,14S)-6-{[(2R,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-[(1R)-1-hydroxyethyl]-3,5,7,9,13-pentamethyl-1-oxacyclotetradec-11-ene-2,4,10-trione

Traditional Name

(3R,5R,6S,7S,9R,11Z,13R,14S)-6-{[(2R,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy}-14-[(1R)-1-hydroxyethyl]-3,5,7,9,13-pentamethyl-1-oxacyclotetradec-11-ene-2,4,10-trione

CAS Registry Number

Not Available

SMILES

C[C@@H](O)[C@H]1OC(=O)[C@H](C)C(=O)[C@H](C)[C@@H](O[C@H]2O[C@H](C)C[C@@H]([C@H]2O)N(C)C)[C@@H](C)C[C@@H](C)C(=O)\C=C/[C@H]1C

InChI Identifier

InChI=1S/C28H47NO8/c1-14-10-11-22(31)15(2)12-16(3)25(37-28-24(33)21(29(8)9)13-17(4)35-28)18(5)23(32)19(6)27(34)36-26(14)20(7)30/h10-11,14-21,24-26,28,30,33H,12-13H2,1-9H3/b11-10-/t14-,15-,16+,17-,18+,19-,20-,21+,24-,25+,26+,28-/m1/s1

InChI Key

SXXXXTQMWPXIES-KSNFSMCBSA-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 venezuelae	NPAtlas	16724858

Chemical Taxonomy

Classification

Not classified

Physical Properties

State

Not Available

Experimental Properties

Property	Value	Reference
Melting Point	Not Available	Not Available
Boiling Point	Not Available	Not Available
Water Solubility	Not Available	Not Available
LogP	Not Available	Not Available

Predicted Properties

Property	Value	Source
logP	1.94	ALOGPS
logP	3.66	ChemAxon
logS	-3.6	ALOGPS
pKa (Strongest Acidic)	8.84	ChemAxon
pKa (Strongest Basic)	7.65	ChemAxon
Physiological Charge	1	ChemAxon
Hydrogen Acceptor Count	8	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	122.6 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	140.21 m³·mol⁻¹	ChemAxon
Polarizability	56.87 Å³	ChemAxon
Number of Rings	2	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

Not Available

References

General References

Lee SK, Park JW, Kim JW, Jung WS, Park SR, Choi CY, Kim ES, Kim BS, Ahn JS, Sherman DH, Yoon YJ: Neopikromycin and novapikromycin from the pikromycin biosynthetic pathway of Streptomyces venezuelae. J Nat Prod. 2006 May;69(5):847-9. doi: 10.1021/np060026p. [PubMed:16724858 ]

Showing NP-Card for Neopikromycin (NP0006391)

MOL for NP0006391 (Neopikromycin)

3D MOL for NP0006391 (Neopikromycin)

3D SDF for NP0006391 (Neopikromycin)

3D-SDF for NP0006391 (Neopikromycin)

PDB for NP0006391 (Neopikromycin)

3D PDB for NP0006391 (Neopikromycin)

SMILES for NP0006391 (Neopikromycin)

INCHI for NP0006391 (Neopikromycin)

Structure for NP0006391 (Neopikromycin)

3D Structure for NP0006391 (Neopikromycin)