NP-MRD: Showing NP-Card for fluevirosine D (NP0042199)

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Record Information

Version

2.0

Created at

2021-06-20 23:55:16 UTC

Updated at

2021-06-30 00:17:09 UTC

NP-MRD ID

NP0042199

Secondary Accession Numbers

None

Natural Product Identification

Common Name

fluevirosine D

Provided By

JEOL Database JEOL Logo

Description

fluevirosine D is found in Flueggea virosa. fluevirosine D was first documented in 2013 (Zhang, H., et al.). Based on a literature review very few articles have been published on Fluevirosine D.

Structure

MOL 3D MOL SDF 3D SDF PDB SMILES InChI


  Mrv1652306212101553D          

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M  END

     RDKit          3D

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   -3.5848   -0.7148    0.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7984    0.4103   -2.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3522    3.2497   -2.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    1.7948   -3.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3347    0.9968   -3.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5977    2.7458   -3.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3979    1.5947   -1.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4612    3.0973   -1.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0491    0.5846    2.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2361    0.3187    5.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    0.4668    3.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6601   -3.2991    4.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0535   -3.2025    6.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3216   -1.4537    6.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0767   -1.5855    6.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9953   -2.8907    5.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2809   -0.9156    3.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951    0.0277    4.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
 41 45  1  0
 36  9  1  0
  9 10  1  0
 11 32  1  0
 41 42  1  0
  9  8  1  0
 31  7  1  0
  8  7  2  0
 11 31  1  0
 42 43  1  0
 43 44  1  0
  4  3  2  0
  3  2  1  0
  2 40  1  0
 31 15  2  0
 15 13  1  0
 13 12  1  0
 11 12  1  6
 39 40  1  1
 13 14  2  0
 45 37  1  0
 32 68  1  6
  2  1  2  0
  6 49  1  6
  7  6  1  0
 37 38  1  0
 30 29  1  0
 29 28  1  0
 28 27  1  0
 27 26  1  0
 30 26  1  0
 39 41  1  0
 41 78  1  6
 37  6  1  0
 26 25  1  0
 25 24  1  0
 23 30  1  0
 25 16  1  0
 44 45  1  0
 18 17  1  0
 16 17  1  0
 23 18  1  0
  4  5  1  0
 32 33  1  0
 33 34  1  0
 34 35  1  0
 35 36  1  0
 18 19  2  0
 19 20  1  0
 20 22  1  0
 23 22  1  6
 32 36  1  0
 20 21  2  0
  6  5  1  0
 30 67  1  1
 39  4  1  0
 16 54  1  1
 15 16  1  0
 11 10  1  0
 39 38  1  0
 23 24  1  0
 42 79  1  0
 42 80  1  0
 43 81  1  0
 43 82  1  0
 44 83  1  0
 44 84  1  0
 37 75  1  6
 38 76  1  0
 38 77  1  0
  5 47  1  0
  5 48  1  0
  3 46  1  0
 33 69  1  0
 33 70  1  0
 34 71  1  0
 34 72  1  0
 35 73  1  0
 35 74  1  0
  9 51  1  1
 10 52  1  0
 10 53  1  0
  8 50  1  0
 29 65  1  0
 29 66  1  0
 28 63  1  0
 28 64  1  0
 27 61  1  0
 27 62  1  0
 25 60  1  6
 24 58  1  0
 24 59  1  0
 17 55  1  0
 17 56  1  0
 19 57  1  0
M  END


  Mrv1652306212101553D          

 84 95  0  0  0  0            999 V2000
    5.9688   -2.6092    5.8074 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0321   -2.3272    5.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0220   -2.5063    3.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8300   -2.0898    3.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460   -2.0123    1.8386 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2982   -0.7792    1.6488 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9438    0.4063    0.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2428    0.7464    1.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9334    1.8718    0.3710 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9114    2.9514    0.0150 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0547    2.1255   -0.9286 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1333    2.8838   -1.6716 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9044    2.3273   -1.5193 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0802    2.6904   -2.1352 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9354    1.2648   -0.4862 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3243    0.5820   -0.0085 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5590    1.5243    0.1633 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.5666    1.3710   -0.9323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3647    2.2681   -1.5025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1011    1.5538   -2.5488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9495    2.0541   -3.2645 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7072    0.2468   -2.5841 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7186    0.0471   -1.5950 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3673   -0.3643   -2.1535 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6495   -0.7055   -0.8465 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6534   -1.5199   -0.1009 N   0  0  2  0  0  0  0  0  0  0  0  0
   -1.5384   -2.9593   -0.3860 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.9725   -3.4518   -0.4243 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6827   -2.3236   -1.1452 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.0041   -1.0766   -0.5858 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2188    1.1759   -0.1025 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1234    1.4165   -1.8012 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5780    2.1793   -3.0450 C   0  0  2  0  0  0  0  0  0  0  0  0
    6.0811    1.9806   -3.0527 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4250    2.0485   -1.5775 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.3408    1.2985   -0.9306 N   0  0  1  0  0  0  0  0  0  0  0  0
    1.6234   -0.3359    2.9996 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6646   -0.1496    4.1076 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0182   -1.6034    4.3638 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8436   -1.7959    5.4942 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6328   -2.2664    4.4225 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9397   -2.2528    5.7815 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5068   -1.9754    5.4237 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3746   -0.9663    4.2989 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.7688   -1.4476    3.5069 N   0  0  1  0  0  0  0  0  0  0  0  0
    5.8479   -2.9030    3.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454   -2.9205    1.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0269   -2.0445    1.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5175   -1.1614    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8808    0.1976    1.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7688    2.2608    0.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3575    3.8164   -0.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3597    3.3348    0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1159    0.2479    1.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0605    1.2485    1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2564    2.5706    0.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4812    3.3160   -1.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4603   -1.2356   -2.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8774    0.4126   -2.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725   -1.2702   -1.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0646   -3.1556   -1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9540   -3.4663    0.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0738   -4.4072   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3700   -3.5674    0.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7596   -2.3300   -0.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5310   -2.4217   -2.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5848   -0.7148    0.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7984    0.4103   -2.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3522    3.2497   -2.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    1.7948   -3.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3347    0.9968   -3.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5977    2.7458   -3.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3979    1.5947   -1.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4612    3.0973   -1.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0491    0.5846    2.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2361    0.3187    5.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    0.4668    3.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6601   -3.2991    4.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0535   -3.2025    6.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3216   -1.4537    6.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0767   -1.5855    6.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9953   -2.8907    5.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2809   -0.9156    3.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951    0.0277    4.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
 41 45  1  0  0  0  0
 36  9  1  0  0  0  0
  9 10  1  0  0  0  0
 11 32  1  0  0  0  0
 41 42  1  0  0  0  0
  9  8  1  0  0  0  0
 31  7  1  0  0  0  0
  8  7  2  0  0  0  0
 11 31  1  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
  4  3  2  0  0  0  0
  3  2  1  0  0  0  0
  2 40  1  0  0  0  0
 31 15  2  0  0  0  0
 15 13  1  0  0  0  0
 13 12  1  0  0  0  0
 11 12  1  6  0  0  0
 39 40  1  1  0  0  0
 13 14  2  0  0  0  0
 45 37  1  0  0  0  0
 32 68  1  6  0  0  0
  2  1  2  0  0  0  0
  6 49  1  6  0  0  0
  7  6  1  0  0  0  0
 37 38  1  0  0  0  0
 30 29  1  0  0  0  0
 29 28  1  0  0  0  0
 28 27  1  0  0  0  0
 27 26  1  0  0  0  0
 30 26  1  0  0  0  0
 39 41  1  0  0  0  0
 41 78  1  6  0  0  0
 37  6  1  0  0  0  0
 26 25  1  0  0  0  0
 25 24  1  0  0  0  0
 23 30  1  0  0  0  0
 25 16  1  0  0  0  0
 44 45  1  0  0  0  0
 18 17  1  0  0  0  0
 16 17  1  0  0  0  0
 23 18  1  0  0  0  0
  4  5  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 22  1  0  0  0  0
 23 22  1  6  0  0  0
 32 36  1  0  0  0  0
 20 21  2  0  0  0  0
  6  5  1  0  0  0  0
 30 67  1  1  0  0  0
 39  4  1  0  0  0  0
 16 54  1  1  0  0  0
 15 16  1  0  0  0  0
 11 10  1  0  0  0  0
 39 38  1  0  0  0  0
 23 24  1  0  0  0  0
 42 79  1  0  0  0  0
 42 80  1  0  0  0  0
 43 81  1  0  0  0  0
 43 82  1  0  0  0  0
 44 83  1  0  0  0  0
 44 84  1  0  0  0  0
 37 75  1  6  0  0  0
 38 76  1  0  0  0  0
 38 77  1  0  0  0  0
  5 47  1  0  0  0  0
  5 48  1  0  0  0  0
  3 46  1  0  0  0  0
 33 69  1  0  0  0  0
 33 70  1  0  0  0  0
 34 71  1  0  0  0  0
 34 72  1  0  0  0  0
 35 73  1  0  0  0  0
 35 74  1  0  0  0  0
  9 51  1  1  0  0  0
 10 52  1  0  0  0  0
 10 53  1  0  0  0  0
  8 50  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
 28 63  1  0  0  0  0
 28 64  1  0  0  0  0
 27 61  1  0  0  0  0
 27 62  1  0  0  0  0
 25 60  1  6  0  0  0
 24 58  1  0  0  0  0
 24 59  1  0  0  0  0
 17 55  1  0  0  0  0
 17 56  1  0  0  0  0
 19 57  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0042199

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H]C1=C2C([H])([H])[C@]([H])(C3=C4C(=C([H])[C@@]5([H])N6C([H])([H])C([H])([H])C([H])([H])[C@]6([H])[C@]4(OC3=O)C5([H])[H])[C@@]3([H])C([H])([H])C4=C([H])C(=O)O[C@@]44C([H])([H])[C@]3([H])N3C([H])([H])C([H])([H])C([H])([H])[C@]43[H])[C@@]3([H])N4C([H])([H])C([H])([H])C([H])([H])[C@]4([H])[C@]2(OC1=O)C3([H])[H]

> <INCHI_IDENTIFIER>
InChI=1S/C36H39N3O6/c40-29-12-18-10-21(24-16-34(18,43-29)26-4-2-8-38(24)26)22-14-20-15-36(28-6-1-7-37(20)28)32(22)31(33(42)45-36)23-11-19-13-30(41)44-35(19)17-25(23)39-9-3-5-27(35)39/h12-14,20-21,23-28H,1-11,15-17H2/t20-,21-,23+,24+,25+,26-,27-,28-,34+,35+,36-/m1/s1

> <INCHI_KEY>
IUAFFPDYOOOCAG-USHVMEEGSA-N

> <FORMULA>
C36H39N3O6

> <MOLECULAR_WEIGHT>
609.723

> <EXACT_MASS>
609.283885988

> <JCHEM_ACCEPTOR_COUNT>
6

> <JCHEM_ATOM_COUNT>
84

> <JCHEM_AVERAGE_POLARIZABILITY>
65.30611663947946

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1S,8S,13R)-4,6-bis[(1S,7R,8S,13R)-3-oxo-2-oxa-9-azatetracyclo[6.5.1.0^{1,5}.0^{9,13}]tetradec-4-en-7-yl]-2-oxa-9-azatetracyclo[6.5.1.0^{1,5}.0^{9,13}]tetradeca-4,6-dien-3-one

> <ALOGPS_LOGP>
2.36

> <JCHEM_LOGP>
1.9579948036666663

> <ALOGPS_LOGS>
-3.40

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
12

> <JCHEM_PHYSIOLOGICAL_CHARGE>
3

> <JCHEM_PKA>
16.084505401611437

> <JCHEM_PKA_STRONGEST_ACIDIC>
14.576220040795366

> <JCHEM_PKA_STRONGEST_BASIC>
10.0132131782488

> <JCHEM_POLAR_SURFACE_AREA>
88.61999999999999

> <JCHEM_REFRACTIVITY>
163.80299999999988

> <JCHEM_ROTATABLE_BOND_COUNT>
2

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.43e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1S,8S,13R)-4,6-bis[(1S,7R,8S,13R)-3-oxo-2-oxa-9-azatetracyclo[6.5.1.0^{1,5}.0^{9,13}]tetradec-4-en-7-yl]-2-oxa-9-azatetracyclo[6.5.1.0^{1,5}.0^{9,13}]tetradeca-4,6-dien-3-one

> <JCHEM_VEBER_RULE>
0

$$$$

     RDKit          3D

 84 95  0  0  0  0  0  0  0  0999 V2000
    5.9688   -2.6092    5.8074 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0321   -2.3272    5.0834 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0220   -2.5063    3.6285 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8300   -2.0898    3.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.2428    0.7464    1.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9334    1.8718    0.3710 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9114    2.9514    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -3.0041   -1.0766   -0.5858 C   0  0  2  0  0  0  0  0  0  0  0  0
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    4.1234    1.4165   -1.8012 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5780    2.1793   -3.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0811    1.9806   -3.0527 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4250    2.0485   -1.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3408    1.2985   -0.9306 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6234   -0.3359    2.9996 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.6646   -0.1496    4.1076 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0182   -1.6034    4.3638 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.8436   -1.7959    5.4942 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6328   -2.2664    4.4225 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.9397   -2.2528    5.7815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5068   -1.9754    5.4237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3746   -0.9663    4.2989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7688   -1.4476    3.5069 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8479   -2.9030    3.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454   -2.9205    1.6901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0269   -2.0445    1.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5175   -1.1614    0.9820 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8808    0.1976    1.8077 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7688    2.2608    0.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3575    3.8164   -0.4896 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3597    3.3348    0.8822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1159    0.2479    1.0109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0605    1.2485    1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2564    2.5706    0.2864 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4812    3.3160   -1.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4603   -1.2356   -2.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8774    0.4126   -2.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725   -1.2702   -1.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0646   -3.1556   -1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9540   -3.4663    0.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0738   -4.4072   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3700   -3.5674    0.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7596   -2.3300   -0.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5310   -2.4217   -2.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5848   -0.7148    0.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7984    0.4103   -2.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3522    3.2497   -2.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    1.7948   -3.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3347    0.9968   -3.4659 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5977    2.7458   -3.6392 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3979    1.5947   -1.3662 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4612    3.0973   -1.2582 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0491    0.5846    2.8458 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2361    0.3187    5.0025 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5219    0.4668    3.8211 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6601   -3.2991    4.0518 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0535   -3.2025    6.3129 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3216   -1.4537    6.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0767   -1.5855    6.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9953   -2.8907    5.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2809   -0.9156    3.6878 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1951    0.0277    4.7275 H   0  0  0  0  0  0  0  0  0  0  0  0
 41 45  1  0
 36  9  1  0
  9 10  1  0
 11 32  1  0
 41 42  1  0
  9  8  1  0
 31  7  1  0
  8  7  2  0
 11 31  1  0
 42 43  1  0
 43 44  1  0
  4  3  2  0
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 11 12  1  6
 39 40  1  1
 13 14  2  0
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 32 68  1  6
  2  1  2  0
  6 49  1  6
  7  6  1  0
 37 38  1  0
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 16 17  1  0
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 20 21  2  0
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 37 75  1  6
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 17 55  1  0
 17 56  1  0
 19 57  1  0
M  END

HEADER    PROTEIN                                 21-JUN-21   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   21-JUN-21         0                                  
HETATM    1  O   UNK     0       5.969  -2.609   5.807  0.00  0.00           O+0
HETATM    2  C   UNK     0       5.032  -2.327   5.083  0.00  0.00           C+0
HETATM    3  C   UNK     0       5.022  -2.506   3.628  0.00  0.00           C+0
HETATM    4  C   UNK     0       3.830  -2.090   3.214  0.00  0.00           C+0
HETATM    5  C   UNK     0       3.246  -2.012   1.839  0.00  0.00           C+0
HETATM    6  C   UNK     0       2.298  -0.779   1.649  0.00  0.00           C+0
HETATM    7  C   UNK     0       2.944   0.406   0.926  0.00  0.00           C+0
HETATM    8  C   UNK     0       4.243   0.746   1.122  0.00  0.00           C+0
HETATM    9  C   UNK     0       4.933   1.872   0.371  0.00  0.00           C+0
HETATM   10  C   UNK     0       3.911   2.951   0.015  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.055   2.126  -0.929  0.00  0.00           C+0
HETATM   12  O   UNK     0       2.133   2.884  -1.672  0.00  0.00           O+0
HETATM   13  C   UNK     0       0.904   2.327  -1.519  0.00  0.00           C+0
HETATM   14  O   UNK     0      -0.080   2.690  -2.135  0.00  0.00           O+0
HETATM   15  C   UNK     0       0.935   1.265  -0.486  0.00  0.00           C+0
HETATM   16  C   UNK     0      -0.324   0.582  -0.009  0.00  0.00           C+0
HETATM   17  C   UNK     0      -1.559   1.524   0.163  0.00  0.00           C+0
HETATM   18  C   UNK     0      -2.567   1.371  -0.932  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.365   2.268  -1.502  0.00  0.00           C+0
HETATM   20  C   UNK     0      -4.101   1.554  -2.549  0.00  0.00           C+0
HETATM   21  O   UNK     0      -4.949   2.054  -3.264  0.00  0.00           O+0
HETATM   22  O   UNK     0      -3.707   0.247  -2.584  0.00  0.00           O+0
HETATM   23  C   UNK     0      -2.719   0.047  -1.595  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.367  -0.364  -2.154  0.00  0.00           C+0
HETATM   25  C   UNK     0      -0.650  -0.706  -0.847  0.00  0.00           C+0
HETATM   26  N   UNK     0      -1.653  -1.520  -0.101  0.00  0.00           N+0
HETATM   27  C   UNK     0      -1.538  -2.959  -0.386  0.00  0.00           C+0
HETATM   28  C   UNK     0      -2.973  -3.452  -0.424  0.00  0.00           C+0
HETATM   29  C   UNK     0      -3.683  -2.324  -1.145  0.00  0.00           C+0
HETATM   30  C   UNK     0      -3.004  -1.077  -0.586  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.219   1.176  -0.103  0.00  0.00           C+0
HETATM   32  C   UNK     0       4.123   1.417  -1.801  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.578   2.179  -3.045  0.00  0.00           C+0
HETATM   34  C   UNK     0       6.081   1.981  -3.053  0.00  0.00           C+0
HETATM   35  C   UNK     0       6.425   2.049  -1.577  0.00  0.00           C+0
HETATM   36  N   UNK     0       5.341   1.299  -0.931  0.00  0.00           N+0
HETATM   37  C   UNK     0       1.623  -0.336   3.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       2.665  -0.150   4.108  0.00  0.00           C+0
HETATM   39  C   UNK     0       3.018  -1.603   4.364  0.00  0.00           C+0
HETATM   40  O   UNK     0       3.844  -1.796   5.494  0.00  0.00           O+0
HETATM   41  C   UNK     0       1.633  -2.266   4.423  0.00  0.00           C+0
HETATM   42  C   UNK     0       0.940  -2.253   5.782  0.00  0.00           C+0
HETATM   43  C   UNK     0      -0.507  -1.975   5.424  0.00  0.00           C+0
HETATM   44  C   UNK     0      -0.375  -0.966   4.299  0.00  0.00           C+0
HETATM   45  N   UNK     0       0.769  -1.448   3.507  0.00  0.00           N+0
HETATM   46  H   UNK     0       5.848  -2.903   3.067  0.00  0.00           H+0
HETATM   47  H   UNK     0       2.645  -2.921   1.690  0.00  0.00           H+0
HETATM   48  H   UNK     0       4.027  -2.045   1.070  0.00  0.00           H+0
HETATM   49  H   UNK     0       1.518  -1.161   0.982  0.00  0.00           H+0
HETATM   50  H   UNK     0       4.881   0.198   1.808  0.00  0.00           H+0
HETATM   51  H   UNK     0       5.769   2.261   0.962  0.00  0.00           H+0
HETATM   52  H   UNK     0       4.357   3.816  -0.490  0.00  0.00           H+0
HETATM   53  H   UNK     0       3.360   3.335   0.882  0.00  0.00           H+0
HETATM   54  H   UNK     0      -0.116   0.248   1.011  0.00  0.00           H+0
HETATM   55  H   UNK     0      -2.061   1.248   1.101  0.00  0.00           H+0
HETATM   56  H   UNK     0      -1.256   2.571   0.286  0.00  0.00           H+0
HETATM   57  H   UNK     0      -3.481   3.316  -1.296  0.00  0.00           H+0
HETATM   58  H   UNK     0      -1.460  -1.236  -2.814  0.00  0.00           H+0
HETATM   59  H   UNK     0      -0.877   0.413  -2.745  0.00  0.00           H+0
HETATM   60  H   UNK     0       0.273  -1.270  -1.029  0.00  0.00           H+0
HETATM   61  H   UNK     0      -1.065  -3.156  -1.356  0.00  0.00           H+0
HETATM   62  H   UNK     0      -0.954  -3.466   0.388  0.00  0.00           H+0
HETATM   63  H   UNK     0      -3.074  -4.407  -0.947  0.00  0.00           H+0
HETATM   64  H   UNK     0      -3.370  -3.567   0.591  0.00  0.00           H+0
HETATM   65  H   UNK     0      -4.760  -2.330  -0.952  0.00  0.00           H+0
HETATM   66  H   UNK     0      -3.531  -2.422  -2.227  0.00  0.00           H+0
HETATM   67  H   UNK     0      -3.585  -0.715   0.273  0.00  0.00           H+0
HETATM   68  H   UNK     0       3.798   0.410  -2.095  0.00  0.00           H+0
HETATM   69  H   UNK     0       4.352   3.250  -2.973  0.00  0.00           H+0
HETATM   70  H   UNK     0       4.112   1.795  -3.958  0.00  0.00           H+0
HETATM   71  H   UNK     0       6.335   0.997  -3.466  0.00  0.00           H+0
HETATM   72  H   UNK     0       6.598   2.746  -3.639  0.00  0.00           H+0
HETATM   73  H   UNK     0       7.398   1.595  -1.366  0.00  0.00           H+0
HETATM   74  H   UNK     0       6.461   3.097  -1.258  0.00  0.00           H+0
HETATM   75  H   UNK     0       1.049   0.585   2.846  0.00  0.00           H+0
HETATM   76  H   UNK     0       2.236   0.319   5.003  0.00  0.00           H+0
HETATM   77  H   UNK     0       3.522   0.467   3.821  0.00  0.00           H+0
HETATM   78  H   UNK     0       1.660  -3.299   4.052  0.00  0.00           H+0
HETATM   79  H   UNK     0       1.054  -3.203   6.313  0.00  0.00           H+0
HETATM   80  H   UNK     0       1.322  -1.454   6.428  0.00  0.00           H+0
HETATM   81  H   UNK     0      -1.077  -1.585   6.272  0.00  0.00           H+0
HETATM   82  H   UNK     0      -0.995  -2.891   5.068  0.00  0.00           H+0
HETATM   83  H   UNK     0      -1.281  -0.916   3.688  0.00  0.00           H+0
HETATM   84  H   UNK     0      -0.195   0.028   4.728  0.00  0.00           H+0
CONECT    1    2                                                            
CONECT    2    3   40    1                                                  
CONECT    3    4    2   46                                                  
CONECT    4    3    5   39                                                  
CONECT    5    4    6   47   48                                             
CONECT    6   49    7   37    5                                             
CONECT    7   31    8    6                                                  
CONECT    8    9    7   50                                                  
CONECT    9   36   10    8   51                                             
CONECT   10    9   11   52   53                                             
CONECT   11   32   31   12   10                                             
CONECT   12   13   11                                                       
CONECT   13   15   12   14                                                  
CONECT   14   13                                                            
CONECT   15   31   13   16                                                  
CONECT   16   25   17   54   15                                             
CONECT   17   18   16   55   56                                             
CONECT   18   17   23   19                                                  
CONECT   19   18   20   57                                                  
CONECT   20   19   22   21                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   30   18   22   24                                             
CONECT   24   25   23   58   59                                             
CONECT   25   26   24   16   60                                             
CONECT   26   27   30   25                                                  
CONECT   27   28   26   61   62                                             
CONECT   28   29   27   63   64                                             
CONECT   29   30   28   65   66                                             
CONECT   30   29   26   23   67                                             
CONECT   31    7   11   15                                                  
CONECT   32   11   68   33   36                                             
CONECT   33   32   34   69   70                                             
CONECT   34   33   35   71   72                                             
CONECT   35   34   36   73   74                                             
CONECT   36    9   35   32                                                  
CONECT   37   45   38    6   75                                             
CONECT   38   37   39   76   77                                             
CONECT   39   40   41    4   38                                             
CONECT   40    2   39                                                       
CONECT   41   45   42   39   78                                             
CONECT   42   41   43   79   80                                             
CONECT   43   42   44   81   82                                             
CONECT   44   43   45   83   84                                             
CONECT   45   41   37   44                                                  
CONECT   46    3                                                            
CONECT   47    5                                                            
CONECT   48    5                                                            
CONECT   49    6                                                            
CONECT   50    8                                                            
CONECT   51    9                                                            
CONECT   52   10                                                            
CONECT   53   10                                                            
CONECT   54   16                                                            
CONECT   55   17                                                            
CONECT   56   17                                                            
CONECT   57   19                                                            
CONECT   58   24                                                            
CONECT   59   24                                                            
CONECT   60   25                                                            
CONECT   61   27                                                            
CONECT   62   27                                                            
CONECT   63   28                                                            
CONECT   64   28                                                            
CONECT   65   29                                                            
CONECT   66   29                                                            
CONECT   67   30                                                            
CONECT   68   32                                                            
CONECT   69   33                                                            
CONECT   70   33                                                            
CONECT   71   34                                                            
CONECT   72   34                                                            
CONECT   73   35                                                            
CONECT   74   35                                                            
CONECT   75   37                                                            
CONECT   76   38                                                            
CONECT   77   38                                                            
CONECT   78   41                                                            
CONECT   79   42                                                            
CONECT   80   42                                                            
CONECT   81   43                                                            
CONECT   82   43                                                            
CONECT   83   44                                                            
CONECT   84   44                                                            
MASTER        0    0    0    0    0    0    0    0   84    0  190    0
END

RDKit          3D

84 95  0  0  0  0  0  0  0  0999 V2000
    5.9688   -2.6092    5.8074 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.8300   -2.0898    3.2141 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2460   -2.0123    1.8386 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2982   -0.7792    1.6488 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9438    0.4063    0.9261 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2428    0.7464    1.1220 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9334    1.8718    0.3710 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.9114    2.9514    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0547    2.1255   -0.9286 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1333    2.8838   -1.6716 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.4603   -1.2356   -2.8139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8774    0.4126   -2.7454 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2725   -1.2702   -1.0292 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0646   -3.1556   -1.3561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9540   -3.4663    0.3877 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0738   -4.4072   -0.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3700   -3.5674    0.5914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7596   -2.3300   -0.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5310   -2.4217   -2.2265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5848   -0.7148    0.2725 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7984    0.4103   -2.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3522    3.2497   -2.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1125    1.7948   -3.9576 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3347    0.9968   -3.4659 H   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

C₃₆H₃₉N₃O₆

Average Mass

609.7230 Da

Monoisotopic Mass

609.28389 Da

IUPAC Name

(1S,8S,13R)-4,6-bis[(1S,7R,8S,13R)-3-oxo-2-oxa-9-azatetracyclo[6.5.1.0^{1,5}.0^{9,13}]tetradec-4-en-7-yl]-2-oxa-9-azatetracyclo[6.5.1.0^{1,5}.0^{9,13}]tetradeca-4,6-dien-3-one

Traditional Name

(1S,8S,13R)-4,6-bis[(1S,7R,8S,13R)-3-oxo-2-oxa-9-azatetracyclo[6.5.1.0^{1,5}.0^{9,13}]tetradec-4-en-7-yl]-2-oxa-9-azatetracyclo[6.5.1.0^{1,5}.0^{9,13}]tetradeca-4,6-dien-3-one

CAS Registry Number

Not Available

SMILES

[H]C1=C2C([H])([H])[C@]([H])(C3=C4C(=C([H])[C@@]5([H])N6C([H])([H])C([H])([H])C([H])([H])[C@]6([H])[C@]4(OC3=O)C5([H])[H])[C@@]3([H])C([H])([H])C4=C([H])C(=O)O[C@@]44C([H])([H])[C@]3([H])N3C([H])([H])C([H])([H])C([H])([H])[C@]43[H])[C@@]3([H])N4C([H])([H])C([H])([H])C([H])([H])[C@]4([H])[C@]2(OC1=O)C3([H])[H]

InChI Identifier

InChI=1S/C36H39N3O6/c40-29-12-18-10-21(24-16-34(18,43-29)26-4-2-8-38(24)26)22-14-20-15-36(28-6-1-7-37(20)28)32(22)31(33(42)45-36)23-11-19-13-30(41)44-35(19)17-25(23)39-9-3-5-27(35)39/h12-14,20-21,23-28H,1-11,15-17H2/t20-,21-,23+,24+,25+,26-,27-,28-,34+,35+,36-/m1/s1

InChI Key

IUAFFPDYOOOCAG-USHVMEEGSA-N

Experimental Spectra

Spectrum Type	Description	Depositor Email	Depositor Organization	Depositor	Deposition Date	View
1D NMR	¹³C NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 1000 MHz, CDCl₃, simulated)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, CDCl₃, 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
Flueggea virosa	JEOL database	Zhang, H., et al, Tetrahedron 69, 3942 (2013)

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	2.36	ALOGPS
logP	1.96	ChemAxon
logS	-3.4	ALOGPS
pKa (Strongest Acidic)	14.58	ChemAxon
pKa (Strongest Basic)	10.01	ChemAxon
Physiological Charge	3	ChemAxon
Hydrogen Acceptor Count	6	ChemAxon
Hydrogen Donor Count	0	ChemAxon
Polar Surface Area	88.62 Å²	ChemAxon
Rotatable Bond Count	2	ChemAxon
Refractivity	163.8 m³·mol⁻¹	ChemAxon
Polarizability	65.31 Å³	ChemAxon
Number of Rings	12	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

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

102492340

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

Zhang, H., et al. (2013). Zhang, H., et al, Tetrahedron 69, 3942 (2013). Tetrahedron.

Showing NP-Card for fluevirosine D (NP0042199)

MOL for NP0042199 (fluevirosine D)

3D MOL for NP0042199 (fluevirosine D)

3D SDF for NP0042199 (fluevirosine D)

3D-SDF for NP0042199 (fluevirosine D)

PDB for NP0042199 (fluevirosine D)

3D PDB for NP0042199 (fluevirosine D)

SMILES for NP0042199 (fluevirosine D)

INCHI for NP0042199 (fluevirosine D)

Structure for NP0042199 (fluevirosine D)

3D Structure for NP0042199 (fluevirosine D)