NP-MRD: Showing NP-Card for Ajudazol A (NP0024101)

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Record Information

Version

2.0

Created at

2021-06-19 16:34:39 UTC

Updated at

2021-06-29 23:48:11 UTC

NP-MRD ID

NP0024101

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Ajudazol A

Provided By

JEOL Database JEOL Logo

Description

Ajudazol A is found in Chondromyces crocatus. Ajudazol A was first documented in 2005 (PMID: 15760139). Based on a literature review a small amount of articles have been published on Ajudazol A (PMID: 32806171) (PMID: 18517210).

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306192118343D          

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M  END

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    4.8856    3.8789    1.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5382    1.0017   -3.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3768   -0.0976   -4.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530   -0.6762   -3.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1579   -2.8977   -3.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0140   -2.4265   -4.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9157   -3.0743   -3.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2158   -1.3733   -1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7889   -2.8458   -0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9400   -1.6661   -0.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4291    1.6177   -1.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2136    0.3049   -0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5136    1.6566   -0.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0313    2.7529   -0.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630   -2.7740   -1.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0063   -1.1044    1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    0.9490   -1.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
 42 24  2  0
 34 35  2  0
 22  2  1  0
 30 29  1  0
  2  3  1  0
 30 31  2  0
  3  4  1  0
 28 29  1  0
  2  1  2  3
 40 41  1  0
  4  5  2  0
 28 40  1  0
  5  6  1  0
 38 39  1  0
  6  7  2  0
  7  8  1  0
 36 37  1  0
  8  9  1  0
 33 32  2  0
  9 10  1  0
 28 26  1  0
 10 11  2  0
 35 36  1  0
 11 12  1  0
 26 25  1  0
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 25 24  1  0
 13 14  1  0
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 15 16  2  0
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 38 32  1  0
 17 18  2  0
 32 30  1  0
 18 20  1  0
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 23 22  2  0
 20 21  1  0
 22 43  1  0
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 37 81  1  0
 26 72  1  1
 25 70  1  0
 25 71  1  0
 42 85  1  0
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 21 67  1  0
 21 68  1  0
 21 69  1  0
 27 73  1  0
 27 74  1  0
 27 75  1  0
M  END


  Mrv1652306192118343D          

 85 87  0  0  0  0            999 V2000
   -4.4048   -2.2095   -5.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3275   -1.8127   -3.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4401   -2.1800   -2.8108 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.1262   -0.9762   -2.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0703   -0.5346   -0.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3549   -1.1684    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9916   -0.5994    1.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1975    0.8194    1.7483 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.9059    1.6515    1.7109 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8419    1.1533    2.6543 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5831    0.8674    2.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5222    0.3415    3.2017 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4772    1.3793    3.4228 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0906    2.4880    4.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6972    1.2785    2.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0287    0.3072    2.0941 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6157    2.4353    2.9066 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9432    2.3157    3.0597 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6930    1.0274    3.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6990    3.4711    3.2119 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5115    3.7094    2.0628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1479   -1.0838   -3.3858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9625   -1.0904   -3.9911 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1605   -0.2553   -3.2486 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2655   -0.0298   -3.5972 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.2555   -1.0124   -2.9247 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0713   -2.4332   -3.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1841   -0.9720   -1.3710 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.1908    0.4107   -0.9267 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3486    1.1099   -0.8444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3626    2.3357   -0.7896 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6177    0.3410   -0.8314 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5902   -1.0548   -0.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7959   -1.7641   -0.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -1.0924   -0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    0.2997   -0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3778    1.0119   -0.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.0113   -0.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9378    2.3764   -1.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2754   -1.7745   -0.6387 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9210   -1.9668    0.7289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8911    0.2665   -2.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1347   -0.2629   -2.2713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6203   -1.9790   -5.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2516   -2.7752   -5.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0163   -2.8342   -2.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2087   -2.7830   -3.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7010   -0.3830   -2.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5946    0.3905   -0.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0655   -2.2073   -0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4459   -1.2274    1.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5975    0.7973    2.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.2832    0.9901    1.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9317    0.0405    4.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.4573    3.2247    3.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479    2.1192    5.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9613    2.9684    4.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1695    3.4193    2.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0632    0.2319    3.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5173    1.1684    3.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1133    0.6871    2.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0927    4.6180    2.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2130    2.8876    1.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8856    3.8789    1.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5382    1.0017   -3.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3768   -0.0976   -4.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530   -0.6762   -3.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1579   -2.8977   -3.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0140   -2.4265   -4.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9157   -3.0743   -3.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2158   -1.3733   -1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7889   -2.8458   -0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9400   -1.6661   -0.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4291    1.6177   -1.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2136    0.3049   -0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5136    1.6566   -0.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0313    2.7529   -0.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630   -2.7740   -1.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0063   -1.1044    1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    0.9490   -1.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
 42 24  2  0  0  0  0
 34 35  2  0  0  0  0
 22  2  1  0  0  0  0
 30 29  1  0  0  0  0
  2  3  1  0  0  0  0
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  2  1  2  3  0  0  0
 40 41  1  0  0  0  0
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  5  6  1  0  0  0  0
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  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
 36 37  1  0  0  0  0
  8  9  1  0  0  0  0
 33 32  2  0  0  0  0
  9 10  1  0  0  0  0
 28 26  1  0  0  0  0
 10 11  2  0  0  0  0
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 33 40  1  0  0  0  0
 13 15  1  0  0  0  0
 25 24  1  0  0  0  0
 13 14  1  0  0  0  0
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 15 16  2  0  0  0  0
 36 38  2  0  0  0  0
 15 17  1  0  0  0  0
 38 32  1  0  0  0  0
 17 18  2  0  0  0  0
 32 30  1  0  0  0  0
 18 20  1  0  0  0  0
 33 34  1  0  0  0  0
 18 19  1  0  0  0  0
 23 22  2  0  0  0  0
 20 21  1  0  0  0  0
 22 43  1  0  0  0  0
 26 27  1  0  0  0  0
 43 42  1  0  0  0  0
 40 83  1  6  0  0  0
 28 76  1  6  0  0  0
 35 78  1  0  0  0  0
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 41 84  1  0  0  0  0
 39 82  1  0  0  0  0
 37 79  1  0  0  0  0
 37 80  1  0  0  0  0
 37 81  1  0  0  0  0
 26 72  1  1  0  0  0
 25 70  1  0  0  0  0
 25 71  1  0  0  0  0
 42 85  1  0  0  0  0
  3 46  1  0  0  0  0
  3 47  1  0  0  0  0
  4 48  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  5 49  1  0  0  0  0
  6 50  1  0  0  0  0
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  8 52  1  0  0  0  0
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  9 55  1  0  0  0  0
 10 56  1  0  0  0  0
 11 57  1  0  0  0  0
 12 58  1  0  0  0  0
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 14 60  1  0  0  0  0
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 14 62  1  0  0  0  0
 17 63  1  0  0  0  0
 19 64  1  0  0  0  0
 19 65  1  0  0  0  0
 19 66  1  0  0  0  0
 21 67  1  0  0  0  0
 21 68  1  0  0  0  0
 21 69  1  0  0  0  0
 27 73  1  0  0  0  0
 27 74  1  0  0  0  0
 27 75  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0024101

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]OC1=C(C([H])=C([H])C2=C1C(=O)O[C@@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C1=C([H])OC(=N1)C(=C([H])[H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])N(C(=O)C(\[H])=C(\OC([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@]2([H])O[H])C([H])([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C34H42N2O7/c1-22-16-17-27-29(30(22)38)34(40)43-32(31(27)39)24(3)19-26-21-42-33(35-26)23(2)15-13-11-9-7-8-10-12-14-18-36(5)28(37)20-25(4)41-6/h7,9,11-14,16-17,20-21,24,31-32,38-39H,2,8,10,15,18-19H2,1,3-6H3/b9-7-,13-11-,14-12+,25-20+/t24-,31+,32-/m0/s1

> <INCHI_KEY>
CIWQMSHQAVWNOO-OPGPRAPUSA-N

> <FORMULA>
C34H42N2O7

> <MOLECULAR_WEIGHT>
590.717

> <EXACT_MASS>
590.2992017

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
85

> <JCHEM_AVERAGE_POLARIZABILITY>
64.7899885592032

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
2

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2E)-N-[(2E,6Z,8Z)-11-{4-[(2S)-2-[(3S,4R)-4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]propyl]-1,3-oxazol-2-yl}dodeca-2,6,8,11-tetraen-1-yl]-3-methoxy-N-methylbut-2-enamide

> <ALOGPS_LOGP>
5.96

> <JCHEM_LOGP>
5.790633029666667

> <ALOGPS_LOGS>
-4.70

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.323575766632189

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.939598011684069

> <JCHEM_PKA_STRONGEST_BASIC>
0.2671572948859332

> <JCHEM_POLAR_SURFACE_AREA>
122.33000000000003

> <JCHEM_REFRACTIVITY>
171.19120000000004

> <JCHEM_ROTATABLE_BOND_COUNT>
14

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.18e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(2E)-N-[(2E,6Z,8Z)-11-{4-[(2S)-2-[(3S,4R)-4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propyl]-1,3-oxazol-2-yl}dodeca-2,6,8,11-tetraen-1-yl]-3-methoxy-N-methylbut-2-enamide

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 85 87  0  0  0  0  0  0  0  0999 V2000
   -4.4048   -2.2095   -5.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3275   -1.8127   -3.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4401   -2.1800   -2.8108 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1262   -0.9762   -2.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0703   -0.5346   -0.9511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3549   -1.1684    0.1324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9916   -0.5994    1.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1975    0.8194    1.7483 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.5831    0.8674    2.2805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5222    0.3415    3.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3626    2.3357   -0.7896 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.5902   -1.0548   -0.7111 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7959   -1.7641   -0.6399 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0167   -1.0924   -0.7211 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0577    0.2997   -0.8680 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3778    1.0119   -0.9491 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8508    1.0113   -0.9112 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9378    2.3764   -1.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2754   -1.7745   -0.6387 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.9210   -1.9668    0.7289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8911    0.2665   -2.2138 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1347   -0.2629   -2.2713 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6203   -1.9790   -5.7835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2516   -2.7752   -5.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0163   -2.8342   -2.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2087   -2.7830   -3.3116 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7010   -0.3830   -2.9301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5946    0.3905   -0.7231 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0655   -2.2073   -0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4459   -1.2274    1.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5975    0.7973    2.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9550    1.3274    1.1430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5257    1.6936    0.6823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1507    2.6817    1.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1356    1.0309    3.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2832    0.9901    1.2419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9317    0.0405    4.1727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0751   -0.5516    2.7527 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4573    3.2247    3.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5479    2.1192    5.0986 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9613    2.9684    4.7424 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1695    3.4193    2.8302 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0632    0.2319    3.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5173    1.1684    3.9542 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1133    0.6871    2.2962 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0927    4.6180    2.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2130    2.8876    1.8883 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8856    3.8789    1.1816 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5382    1.0017   -3.3408 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3768   -0.0976   -4.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2530   -0.6762   -3.2375 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1579   -2.8977   -3.0859 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0140   -2.4265   -4.5653 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9157   -3.0743   -3.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2158   -1.3733   -1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7889   -2.8458   -0.5160 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9400   -1.6661   -0.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4291    1.6177   -1.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2136    0.3049   -0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5136    1.6566   -0.0751 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0313    2.7529   -0.9690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3630   -2.7740   -1.0736 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0063   -1.1044    1.1973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6897    0.9490   -1.4014 H   0  0  0  0  0  0  0  0  0  0  0  0
 42 24  2  0
 34 35  2  0
 22  2  1  0
 30 29  1  0
  2  3  1  0
 30 31  2  0
  3  4  1  0
 28 29  1  0
  2  1  2  3
 40 41  1  0
  4  5  2  0
 28 40  1  0
  5  6  1  0
 38 39  1  0
  6  7  2  0
  7  8  1  0
 36 37  1  0
  8  9  1  0
 33 32  2  0
  9 10  1  0
 28 26  1  0
 10 11  2  0
 35 36  1  0
 11 12  1  0
 26 25  1  0
 12 13  1  0
 33 40  1  0
 13 15  1  0
 25 24  1  0
 13 14  1  0
 24 23  1  0
 15 16  2  0
 36 38  2  0
 15 17  1  0
 38 32  1  0
 17 18  2  0
 32 30  1  0
 18 20  1  0
 33 34  1  0
 18 19  1  0
 23 22  2  0
 20 21  1  0
 22 43  1  0
 26 27  1  0
 43 42  1  0
 40 83  1  6
 28 76  1  6
 35 78  1  0
 34 77  1  0
 41 84  1  0
 39 82  1  0
 37 79  1  0
 37 80  1  0
 37 81  1  0
 26 72  1  1
 25 70  1  0
 25 71  1  0
 42 85  1  0
  3 46  1  0
  3 47  1  0
  4 48  1  0
  1 44  1  0
  1 45  1  0
  5 49  1  0
  6 50  1  0
  7 51  1  0
  8 52  1  0
  8 53  1  0
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 10 56  1  0
 11 57  1  0
 12 58  1  0
 12 59  1  0
 14 60  1  0
 14 61  1  0
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 19 64  1  0
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 19 66  1  0
 21 67  1  0
 21 68  1  0
 21 69  1  0
 27 73  1  0
 27 74  1  0
 27 75  1  0
M  END

HEADER    PROTEIN                                 19-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   19-JUN-21         0                                  
HETATM    1  C   UNK     0      -4.405  -2.209  -5.066  0.00  0.00           C+0
HETATM    2  C   UNK     0      -4.327  -1.813  -3.780  0.00  0.00           C+0
HETATM    3  C   UNK     0      -5.440  -2.180  -2.811  0.00  0.00           C+0
HETATM    4  C   UNK     0      -6.126  -0.976  -2.220  0.00  0.00           C+0
HETATM    5  C   UNK     0      -6.070  -0.535  -0.951  0.00  0.00           C+0
HETATM    6  C   UNK     0      -5.355  -1.168   0.132  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.992  -0.599   1.292  0.00  0.00           C+0
HETATM    8  C   UNK     0      -5.197   0.819   1.748  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.906   1.652   1.711  0.00  0.00           C+0
HETATM   10  C   UNK     0      -2.842   1.153   2.654  0.00  0.00           C+0
HETATM   11  C   UNK     0      -1.583   0.867   2.281  0.00  0.00           C+0
HETATM   12  C   UNK     0      -0.522   0.342   3.202  0.00  0.00           C+0
HETATM   13  N   UNK     0       0.477   1.379   3.423  0.00  0.00           N+0
HETATM   14  C   UNK     0       0.091   2.488   4.290  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.697   1.278   2.773  0.00  0.00           C+0
HETATM   16  O   UNK     0       2.029   0.307   2.094  0.00  0.00           O+0
HETATM   17  C   UNK     0       2.616   2.435   2.907  0.00  0.00           C+0
HETATM   18  C   UNK     0       3.943   2.316   3.060  0.00  0.00           C+0
HETATM   19  C   UNK     0       4.693   1.027   3.247  0.00  0.00           C+0
HETATM   20  O   UNK     0       4.699   3.471   3.212  0.00  0.00           O+0
HETATM   21  C   UNK     0       5.511   3.709   2.063  0.00  0.00           C+0
HETATM   22  C   UNK     0      -3.148  -1.084  -3.386  0.00  0.00           C+0
HETATM   23  N   UNK     0      -1.962  -1.090  -3.991  0.00  0.00           N+0
HETATM   24  C   UNK     0      -1.161  -0.255  -3.249  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.266  -0.030  -3.597  0.00  0.00           C+0
HETATM   26  C   UNK     0       1.256  -1.012  -2.925  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.071  -2.433  -3.471  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.184  -0.972  -1.371  0.00  0.00           C+0
HETATM   29  O   UNK     0       1.191   0.411  -0.927  0.00  0.00           O+0
HETATM   30  C   UNK     0       2.349   1.110  -0.844  0.00  0.00           C+0
HETATM   31  O   UNK     0       2.363   2.336  -0.790  0.00  0.00           O+0
HETATM   32  C   UNK     0       3.618   0.341  -0.831  0.00  0.00           C+0
HETATM   33  C   UNK     0       3.590  -1.055  -0.711  0.00  0.00           C+0
HETATM   34  C   UNK     0       4.796  -1.764  -0.640  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.017  -1.092  -0.721  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.058   0.300  -0.868  0.00  0.00           C+0
HETATM   37  C   UNK     0       7.378   1.012  -0.949  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.851   1.011  -0.911  0.00  0.00           C+0
HETATM   39  O   UNK     0       4.938   2.376  -1.033  0.00  0.00           O+0
HETATM   40  C   UNK     0       2.275  -1.775  -0.639  0.00  0.00           C+0
HETATM   41  O   UNK     0       1.921  -1.967   0.729  0.00  0.00           O+0
HETATM   42  C   UNK     0      -1.891   0.267  -2.214  0.00  0.00           C+0
HETATM   43  O   UNK     0      -3.135  -0.263  -2.271  0.00  0.00           O+0
HETATM   44  H   UNK     0      -3.620  -1.979  -5.784  0.00  0.00           H+0
HETATM   45  H   UNK     0      -5.252  -2.775  -5.440  0.00  0.00           H+0
HETATM   46  H   UNK     0      -5.016  -2.834  -2.042  0.00  0.00           H+0
HETATM   47  H   UNK     0      -6.209  -2.783  -3.312  0.00  0.00           H+0
HETATM   48  H   UNK     0      -6.701  -0.383  -2.930  0.00  0.00           H+0
HETATM   49  H   UNK     0      -6.595   0.391  -0.723  0.00  0.00           H+0
HETATM   50  H   UNK     0      -5.066  -2.207  -0.008  0.00  0.00           H+0
HETATM   51  H   UNK     0      -4.446  -1.227   1.997  0.00  0.00           H+0
HETATM   52  H   UNK     0      -5.598   0.797   2.770  0.00  0.00           H+0
HETATM   53  H   UNK     0      -5.955   1.327   1.143  0.00  0.00           H+0
HETATM   54  H   UNK     0      -3.526   1.694   0.682  0.00  0.00           H+0
HETATM   55  H   UNK     0      -4.151   2.682   1.998  0.00  0.00           H+0
HETATM   56  H   UNK     0      -3.136   1.031   3.695  0.00  0.00           H+0
HETATM   57  H   UNK     0      -1.283   0.990   1.242  0.00  0.00           H+0
HETATM   58  H   UNK     0      -0.932   0.041   4.173  0.00  0.00           H+0
HETATM   59  H   UNK     0      -0.075  -0.552   2.753  0.00  0.00           H+0
HETATM   60  H   UNK     0      -0.457   3.225   3.696  0.00  0.00           H+0
HETATM   61  H   UNK     0      -0.548   2.119   5.099  0.00  0.00           H+0
HETATM   62  H   UNK     0       0.961   2.968   4.742  0.00  0.00           H+0
HETATM   63  H   UNK     0       2.170   3.419   2.830  0.00  0.00           H+0
HETATM   64  H   UNK     0       4.063   0.232   3.656  0.00  0.00           H+0
HETATM   65  H   UNK     0       5.517   1.168   3.954  0.00  0.00           H+0
HETATM   66  H   UNK     0       5.113   0.687   2.296  0.00  0.00           H+0
HETATM   67  H   UNK     0       6.093   4.618   2.245  0.00  0.00           H+0
HETATM   68  H   UNK     0       6.213   2.888   1.888  0.00  0.00           H+0
HETATM   69  H   UNK     0       4.886   3.879   1.182  0.00  0.00           H+0
HETATM   70  H   UNK     0       0.538   1.002  -3.341  0.00  0.00           H+0
HETATM   71  H   UNK     0       0.377  -0.098  -4.687  0.00  0.00           H+0
HETATM   72  H   UNK     0       2.253  -0.676  -3.237  0.00  0.00           H+0
HETATM   73  H   UNK     0       0.158  -2.898  -3.086  0.00  0.00           H+0
HETATM   74  H   UNK     0       1.014  -2.426  -4.565  0.00  0.00           H+0
HETATM   75  H   UNK     0       1.916  -3.074  -3.202  0.00  0.00           H+0
HETATM   76  H   UNK     0       0.216  -1.373  -1.048  0.00  0.00           H+0
HETATM   77  H   UNK     0       4.789  -2.846  -0.516  0.00  0.00           H+0
HETATM   78  H   UNK     0       6.940  -1.666  -0.665  0.00  0.00           H+0
HETATM   79  H   UNK     0       7.429   1.618  -1.860  0.00  0.00           H+0
HETATM   80  H   UNK     0       8.214   0.305  -0.978  0.00  0.00           H+0
HETATM   81  H   UNK     0       7.514   1.657  -0.075  0.00  0.00           H+0
HETATM   82  H   UNK     0       4.031   2.753  -0.969  0.00  0.00           H+0
HETATM   83  H   UNK     0       2.363  -2.774  -1.074  0.00  0.00           H+0
HETATM   84  H   UNK     0       2.006  -1.104   1.197  0.00  0.00           H+0
HETATM   85  H   UNK     0      -1.690   0.949  -1.401  0.00  0.00           H+0
CONECT    1    2   44   45                                                  
CONECT    2   22    3    1                                                  
CONECT    3    2    4   46   47                                             
CONECT    4    3    5   48                                                  
CONECT    5    4    6   49                                                  
CONECT    6    5    7   50                                                  
CONECT    7    6    8   51                                                  
CONECT    8    7    9   52   53                                             
CONECT    9    8   10   54   55                                             
CONECT   10    9   11   56                                                  
CONECT   11   10   12   57                                                  
CONECT   12   11   13   58   59                                             
CONECT   13   12   15   14                                                  
CONECT   14   13   60   61   62                                             
CONECT   15   13   16   17                                                  
CONECT   16   15                                                            
CONECT   17   15   18   63                                                  
CONECT   18   17   20   19                                                  
CONECT   19   18   64   65   66                                             
CONECT   20   18   21                                                       
CONECT   21   20   67   68   69                                             
CONECT   22    2   23   43                                                  
CONECT   23   24   22                                                       
CONECT   24   42   25   23                                                  
CONECT   25   26   24   70   71                                             
CONECT   26   28   25   27   72                                             
CONECT   27   26   73   74   75                                             
CONECT   28   29   40   26   76                                             
CONECT   29   30   28                                                       
CONECT   30   29   31   32                                                  
CONECT   31   30                                                            
CONECT   32   33   38   30                                                  
CONECT   33   32   40   34                                                  
CONECT   34   35   33   77                                                  
CONECT   35   34   36   78                                                  
CONECT   36   37   35   38                                                  
CONECT   37   36   79   80   81                                             
CONECT   38   39   36   32                                                  
CONECT   39   38   82                                                       
CONECT   40   41   28   33   83                                             
CONECT   41   40   84                                                       
CONECT   42   24   43   85                                                  
CONECT   43   22   42                                                       
CONECT   44    1                                                            
CONECT   45    1                                                            
CONECT   46    3                                                            
CONECT   47    3                                                            
CONECT   48    4                                                            
CONECT   49    5                                                            
CONECT   50    6                                                            
CONECT   51    7                                                            
CONECT   52    8                                                            
CONECT   53    8                                                            
CONECT   54    9                                                            
CONECT   55    9                                                            
CONECT   56   10                                                            
CONECT   57   11                                                            
CONECT   58   12                                                            
CONECT   59   12                                                            
CONECT   60   14                                                            
CONECT   61   14                                                            
CONECT   62   14                                                            
CONECT   63   17                                                            
CONECT   64   19                                                            
CONECT   65   19                                                            
CONECT   66   19                                                            
CONECT   67   21                                                            
CONECT   68   21                                                            
CONECT   69   21                                                            
CONECT   70   25                                                            
CONECT   71   25                                                            
CONECT   72   26                                                            
CONECT   73   27                                                            
CONECT   74   27                                                            
CONECT   75   27                                                            
CONECT   76   28                                                            
CONECT   77   34                                                            
CONECT   78   35                                                            
CONECT   79   37                                                            
CONECT   80   37                                                            
CONECT   81   37                                                            
CONECT   82   39                                                            
CONECT   83   40                                                            
CONECT   84   41                                                            
CONECT   85   42                                                            
MASTER        0    0    0    0    0    0    0    0   85    0  174    0
END

RDKit          3D

85 87  0  0  0  0  0  0  0  0999 V2000
   -4.4048   -2.2095   -5.0661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3275   -1.8127   -3.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.9916   -0.5994    1.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -0.5222    0.3415    3.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4772    1.3793    3.4228 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0906    2.4880    4.2901 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6972    1.2785    2.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0287    0.3072    2.0941 O   0  0  0  0  0  0  0  0  0  0  0  0
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    4.6930    1.0274    3.2466 C   0  0  0  0  0  0  0  0  0  0  0  0
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M  END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₄H₄₂N₂O₇

Average Mass

590.7170 Da

Monoisotopic Mass

590.29920 Da

IUPAC Name

(2E)-N-[(2E,6Z,8Z)-11-{4-[(2S)-2-[(3S,4R)-4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydro-1H-2-benzopyran-3-yl]propyl]-1,3-oxazol-2-yl}dodeca-2,6,8,11-tetraen-1-yl]-3-methoxy-N-methylbut-2-enamide

Traditional Name

(2E)-N-[(2E,6Z,8Z)-11-{4-[(2S)-2-[(3S,4R)-4,8-dihydroxy-7-methyl-1-oxo-3,4-dihydro-2-benzopyran-3-yl]propyl]-1,3-oxazol-2-yl}dodeca-2,6,8,11-tetraen-1-yl]-3-methoxy-N-methylbut-2-enamide

CAS Registry Number

Not Available

SMILES

[H]OC1=C(C([H])=C([H])C2=C1C(=O)O[C@@]([H])([C@@]([H])(C([H])([H])[H])C([H])([H])C1=C([H])OC(=N1)C(=C([H])[H])C([H])([H])C(\[H])=C(\[H])/C(/[H])=C(/[H])C([H])([H])C([H])([H])C(\[H])=C(/[H])C([H])([H])N(C(=O)C(\[H])=C(\OC([H])([H])[H])C([H])([H])[H])C([H])([H])[H])[C@]2([H])O[H])C([H])([H])[H]

InChI Identifier

InChI=1S/C34H42N2O7/c1-22-16-17-27-29(30(22)38)34(40)43-32(31(27)39)24(3)19-26-21-42-33(35-26)23(2)15-13-11-9-7-8-10-12-14-18-36(5)28(37)20-25(4)41-6/h7,9,11-14,16-17,20-21,24,31-32,38-39H,2,8,10,15,18-19H2,1,3-6H3/b9-7-,13-11-,14-12+,25-20+/t24-,31+,32-/m0/s1

InChI Key

CIWQMSHQAVWNOO-OPGPRAPUSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, DMSO-d6/D₂O at 80 C, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum

Predicted Spectra

Not Available

Chemical Shift Submissions

Not Available

Species

Species of Origin

Species Name	Source	Reference
Chondromyces crocatus	JEOL database	Jansen, R., et al, Eur. J. Org. Chem. 2002, 917

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	5.96	ALOGPS
logP	5.79	ChemAxon
logS	-4.7	ALOGPS
pKa (Strongest Acidic)	9.94	ChemAxon
pKa (Strongest Basic)	0.27	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	2	ChemAxon
Polar Surface Area	122.33 Å²	ChemAxon
Rotatable Bond Count	14	ChemAxon
Refractivity	171.19 m³·mol⁻¹	ChemAxon
Polarizability	64.79 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	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

8591438

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

10416005

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Wollnitzke P, Essig S, Golz JP, von Schwarzenberg K, Menche D: Total Synthesis of Ajudazol A by a Modular Oxazole Diversification Strategy. Org Lett. 2020 Aug 21;22(16):6344-6348. doi: 10.1021/acs.orglett.0c02188. Epub 2020 Aug 6. [PubMed:32806171 ]
Hobson SJ, Parkin A, Marquez R: Oxidative rearrangements of isobenzofurans: studies toward the synthesis of the ajudazols. Org Lett. 2008 Jul 3;10(13):2813-6. doi: 10.1021/ol8009336. Epub 2008 Jun 3. [PubMed:18517210 ]
Krebs O, Taylor RJ: Synthesis of the eastern portion of ajudazol a based on Stille coupling and double acetylene carbocupration. Org Lett. 2005 Mar 17;7(6):1063-6. doi: 10.1021/ol047313+. [PubMed:15760139 ]
Jansen, R., et al. (2002). Jansen, R., et al, Eur. J. Org. Chem. 2002, 917. Eur. J. Org. Chem..

Showing NP-Card for Ajudazol A (NP0024101)

MOL for NP0024101 (Ajudazol A)

3D MOL for NP0024101 (Ajudazol A)

3D SDF for NP0024101 (Ajudazol A)

3D-SDF for NP0024101 (Ajudazol A)

PDB for NP0024101 (Ajudazol A)

3D PDB for NP0024101 (Ajudazol A)

SMILES for NP0024101 (Ajudazol A)

INCHI for NP0024101 (Ajudazol A)

Structure for NP0024101 (Ajudazol A)

3D Structure for NP0024101 (Ajudazol A)