NP-MRD: Showing NP-Card for 4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol (NP0317003)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-11 16:35:02 UTC

Updated at

2022-09-11 16:35:03 UTC

NP-MRD ID

NP0317003

Secondary Accession Numbers

None

Natural Product Identification

Common Name

4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol

Description

4-(2-{4-[5-(4-{[1-(3,4-Dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol belongs to the class of organic compounds known as 7,7'-epoxylignans. These are lignans with a structure based on a 2,5-diaryl-3, 4-dimethyltetrahydrofuran skeleton. 4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol is found in Saururus chinensis. 4-(2-{4-[5-(4-{[1-(3,4-Dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004201504102D          

 52 56  0  0  0  0            999 V2000
    2.0367    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    2.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    1.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -0.4741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -2.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -2.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -2.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -1.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -3.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5620   -4.2590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071   -5.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4821   -5.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9972   -5.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2272   -4.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4425   -4.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7920   -5.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -5.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0974   -6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -7.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2468   -7.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9112   -8.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0907   -8.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3961   -9.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166   -9.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0606   -9.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5455  -10.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2100  -11.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3895  -11.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0539  -12.1492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9046  -10.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0841  -10.8143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5991  -10.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2401   -9.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9414   -7.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6058   -7.8859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7853   -7.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4565   -6.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 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
 27 29  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 45 48  2  0  0  0  0
 40 48  1  0  0  0  0
 34 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 49 52  2  0  0  0  0
 31 52  1  0  0  0  0
M  END

     RDKit          3D

102106  0  0  0  0  0  0  0  0999 V2000
  -13.1712   -0.1498    0.6615 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4525    0.5146    1.7116 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0854    0.7044    1.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4391    0.2903    0.3567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0753    0.4761    0.1327 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4416    0.0107   -1.1222 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.5884    0.9269   -1.6951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6858   -1.2941   -0.9629 C   0  0  2  0  0  0  0  0  0  0  0  0
   -8.5856   -2.3969   -0.4456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5655   -1.1673   -0.1602 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2469   -1.2540   -0.5046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8457   -1.4817   -1.8008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4736   -1.5624   -2.1058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5265   -1.4177   -1.1336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0865   -1.4689   -1.4134 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.3568   -0.6787   -0.5172 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0096    0.4849   -1.1223 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.4406    0.8346   -0.7935 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4344   -0.1120   -0.8677 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7737    0.1643   -0.5794 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1244    1.4358   -0.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4047    1.7952    0.0939 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5656    1.0393    0.0840 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.5310    1.6169   -0.9385 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1954    1.0892    1.4653 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.4662    2.4370    1.7502 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4705    0.3309    1.5310 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3409    0.6245    2.5582 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5548   -0.0541    2.6722 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8823   -1.0200    1.7543 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0819   -1.6980    1.8564 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.9646   -1.3960    2.8968 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0180   -1.3199    0.7251 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4021   -2.3078   -0.1732 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5469   -2.6700   -1.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8018   -0.6376    0.6137 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1440    2.4142   -0.1185 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4968    3.6841    0.2582 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6586    4.7894    0.4000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8122    2.1078   -0.4133 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1357    0.3228   -2.6017 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.0549    0.6752   -3.4111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6562   -1.0759   -2.7776 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.3792   -2.0462   -3.2852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9262   -1.1862    0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2669   -1.1081    0.4837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6592   -0.8814    1.7785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7463   -0.7224    2.8288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3403    1.1132    1.1179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9704    1.5302    2.2569 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3223    1.3358    2.4576 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9339    1.7724    3.6282 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.7152   -1.1582    0.5064 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9484    0.4242   -0.2841 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.2429   -0.2079    0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0161   -0.2068   -0.4092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2563   -0.1884   -1.8496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7748    0.9739   -1.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3887   -1.5882   -1.9873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0130   -3.1871    0.0789 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3211   -2.0163    0.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1823   -2.8497   -1.2657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5174   -1.6063   -2.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2269   -1.7577   -3.1495 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7598   -2.5285   -1.1914 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5962    1.3427   -0.7209 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2031   -1.1113   -1.1544 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5144   -0.6192   -0.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3581    0.0031   -0.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7796    0.8827   -1.7339 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0370    2.4853   -1.4171 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4055    1.9905   -0.4040 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5106    0.6788    2.2027 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6736    2.7699    2.2512 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1144    1.3871    3.3082 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1983    0.2115    3.4908 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9515   -1.8885    2.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6183   -1.7795    3.8782 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1127   -0.2942    3.0165 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6553   -3.2159   -0.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1833   -1.7986   -1.8158 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0601   -3.3627   -1.9559 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1665   -0.9036   -0.1943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7297    4.7590   -0.1715 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4213    4.9829    1.4852 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2282    5.7126    0.0915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267    2.8565   -0.3535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9657    1.0196   -2.9223 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7248    0.7804   -4.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9455    0.0686   -3.2690 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3500    1.7222   -3.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4951   -1.1014   -3.4850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1786   -2.8423   -3.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9020   -2.5964   -2.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0176   -1.5590   -4.0346 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1458   -1.0802    0.9192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0722    0.1265    2.5759 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0984   -1.6059    2.9422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3078   -0.4810    3.7373 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2810    1.2734    0.9772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4331    2.0388    3.0652 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9228    1.6310    3.7757 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5 49  2  0
 49 50  1  0
 50 51  2  0
 51 52  1  0
  5  6  1  0
  6  7  1  0
  6  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 45  1  0
 45 46  2  0
 46 47  1  0
 47 48  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 41  1  0
 41 42  1  0
 41 43  1  0
 43 44  1  0
 17 18  1  0
 18 19  2  0
 19 20  1  0
 20 21  2  0
 21 22  1  0
 22 23  1  0
 23 24  1  0
 23 25  1  0
 25 26  1  0
 25 27  1  0
 27 28  2  0
 28 29  1  0
 29 30  2  0
 30 31  1  0
 31 32  1  0
 30 33  1  0
 33 34  1  0
 34 35  1  0
 33 36  2  0
 21 37  1  0
 37 38  1  0
 38 39  1  0
 37 40  2  0
 51  3  1  0
 46 11  1  0
 43 15  1  0
 40 18  1  0
 36 27  1  0
  1 53  1  0
  1 54  1  0
  1 55  1  0
  4 56  1  0
 49100  1  0
 50101  1  0
 52102  1  0
  6 57  1  6
  7 58  1  0
  8 59  1  6
  9 60  1  0
  9 61  1  0
  9 62  1  0
 12 63  1  0
 13 64  1  0
 45 96  1  0
 48 97  1  0
 48 98  1  0
 48 99  1  0
 15 65  1  1
 17 66  1  1
 41 88  1  6
 42 89  1  0
 42 90  1  0
 42 91  1  0
 43 92  1  6
 44 93  1  0
 44 94  1  0
 44 95  1  0
 19 67  1  0
 20 68  1  0
 23 69  1  6
 24 70  1  0
 24 71  1  0
 24 72  1  0
 25 73  1  1
 26 74  1  0
 28 75  1  0
 29 76  1  0
 32 77  1  0
 32 78  1  0
 32 79  1  0
 35 80  1  0
 35 81  1  0
 35 82  1  0
 36 83  1  0
 39 84  1  0
 39 85  1  0
 39 86  1  0
 40 87  1  0
M  END


  Mrv1533004201504102D          

 52 56  0  0  0  0            999 V2000
    2.0367    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    2.4134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    2.4134    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    2.0009    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7512    0.7634    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0367    1.1759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091    0.7634    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235    1.1759    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -0.0616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3235   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -0.4741    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -1.2991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6091   -2.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -2.9491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -2.5366    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1801   -1.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -1.2991    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4656   -0.4741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8946   -3.7741    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5620   -4.2590    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3071   -5.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4821   -5.0437    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9972   -5.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2272   -4.2590    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4425   -4.0041    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7920   -5.7111    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6125   -5.6249    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0974   -6.2923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7619   -7.0460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2468   -7.7134    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9112   -8.4671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0907   -8.5533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3961   -9.1345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2166   -9.0483    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0606   -9.8882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5455  -10.5556    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2100  -11.3093    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3895  -11.3955    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0539  -12.1492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9046  -10.7281    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0841  -10.8143    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5991  -10.1469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2401   -9.9744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9414   -7.1322    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6058   -7.8859    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7853   -7.9721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4565   -6.4648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  3  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  6 11  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 19 20  1  0  0  0  0
 20 21  2  0  0  0  0
 16 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 19 24  1  0  0  0  0
 24 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
 27 29  1  0  0  0  0
 24 29  1  0  0  0  0
 29 30  1  0  0  0  0
 26 31  1  0  0  0  0
 31 32  2  0  0  0  0
 32 33  1  0  0  0  0
 33 34  2  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 45 48  2  0  0  0  0
 40 48  1  0  0  0  0
 34 49  1  0  0  0  0
 49 50  1  0  0  0  0
 50 51  1  0  0  0  0
 49 52  2  0  0  0  0
 31 52  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0317003

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(=CC=C1O)C(O)C(C)OC1=CC=C(C=C1OC)C1OC(C(C)C1C)C1=CC=C(OC(C)C(O)C2=CC=C(OC)C(OC)=C2)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C41H50O11/c1-22-23(2)41(29-13-17-33(37(21-29)49-9)51-25(4)39(44)27-11-15-31(45-5)35(19-27)47-7)52-40(22)28-12-16-32(36(20-28)48-8)50-24(3)38(43)26-10-14-30(42)34(18-26)46-6/h10-25,38-44H,1-9H3

> <INCHI_KEY>
CPGFYBGUXQXJMQ-UHFFFAOYSA-N

> <FORMULA>
C41H50O11

> <MOLECULAR_WEIGHT>
718.84

> <EXACT_MASS>
718.33531243

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
102

> <JCHEM_AVERAGE_POLARIZABILITY>
77.73637344221083

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol

> <ALOGPS_LOGP>
5.91

> <JCHEM_LOGP>
6.4429351476666685

> <ALOGPS_LOGS>
-5.79

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
5

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.188620388739594

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.908693011321573

> <JCHEM_PKA_STRONGEST_BASIC>
-3.4843091907491868

> <JCHEM_POLAR_SURFACE_AREA>
134.53000000000003

> <JCHEM_REFRACTIVITY>
195.27339999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
15

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
1.16e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 20-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   20-APR-15         0                                  
HETATM    1  C   UNK     0       3.802   3.735   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       5.136   4.505   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       6.469   3.735   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       7.803   4.505   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       9.137   3.735   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       9.137   2.195   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.803   1.425   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.469   2.195   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       5.136   1.425   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0       3.802   2.195   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.470   1.425   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      11.804   2.195   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      10.470  -0.115   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      11.804  -0.885   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       9.137  -0.885   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       9.137  -2.425   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      10.470  -3.195   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      10.470  -4.735   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       9.137  -5.505   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.803  -4.735   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       7.803  -3.195   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       6.469  -2.425   0.000  0.00  0.00           O+0
HETATM   23  C   UNK     0       6.469  -0.885   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       9.137  -7.045   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0      10.382  -7.950   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       9.907  -9.415   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       8.367  -9.415   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       7.461 -10.661   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       7.891  -7.950   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       6.426  -7.474   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      10.812 -10.661   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0      12.343 -10.500   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0      13.249 -11.746   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      12.622 -13.152   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0      13.527 -14.398   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0      12.901 -15.805   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0      11.369 -15.966   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      13.806 -17.051   0.000  0.00  0.00           C+0
HETATM   39  O   UNK     0      15.338 -16.890   0.000  0.00  0.00           O+0
HETATM   40  C   UNK     0      13.180 -18.458   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      14.085 -19.704   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      13.459 -21.111   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      11.927 -21.272   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      11.301 -22.679   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      11.022 -20.026   0.000  0.00  0.00           C+0
HETATM   46  O   UNK     0       9.490 -20.187   0.000  0.00  0.00           O+0
HETATM   47  C   UNK     0       8.585 -18.941   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0      11.648 -18.619   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0      11.091 -13.313   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      10.464 -14.720   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       8.933 -14.881   0.000  0.00  0.00           C+0
HETATM   52  C   UNK     0      10.185 -12.068   0.000  0.00  0.00           C+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6                                                       
CONECT    6    5    7   11                                                  
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8   10                                                       
CONECT   10    9                                                            
CONECT   11    6   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13   16                                                       
CONECT   16   15   17   21                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   16   22                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   19   25   29                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   31                                                  
CONECT   27   26   28   29                                                  
CONECT   28   27                                                            
CONECT   29   27   24   30                                                  
CONECT   30   29                                                            
CONECT   31   26   32   52                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34                                                       
CONECT   34   33   35   49                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   40                                                  
CONECT   39   38                                                            
CONECT   40   38   41   48                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46   48                                                  
CONECT   46   45   47                                                       
CONECT   47   46                                                            
CONECT   48   45   40                                                       
CONECT   49   34   50   52                                                  
CONECT   50   49   51                                                       
CONECT   51   50                                                            
CONECT   52   49   31                                                       
MASTER        0    0    0    0    0    0    0    0   52    0  112    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₁H₅₀O₁₁

Average Mass

718.8400 Da

Monoisotopic Mass

718.33531 Da

IUPAC Name

4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol

Traditional Name

4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol

CAS Registry Number

Not Available

SMILES

COC1=CC(=CC=C1O)C(O)C(C)OC1=CC=C(C=C1OC)C1OC(C(C)C1C)C1=CC=C(OC(C)C(O)C2=CC=C(OC)C(OC)=C2)C(OC)=C1

InChI Identifier

InChI=1S/C41H50O11/c1-22-23(2)41(29-13-17-33(37(21-29)49-9)51-25(4)39(44)27-11-15-31(45-5)35(19-27)47-7)52-40(22)28-12-16-32(36(20-28)48-8)50-24(3)38(43)26-10-14-30(42)34(18-26)46-6/h10-25,38-44H,1-9H3

InChI Key

CPGFYBGUXQXJMQ-UHFFFAOYSA-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, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, H₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, H₂O, 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
Saururus chinensis	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 7,7'-epoxylignans. These are lignans with a structure based on a 2,5-diaryl-3, 4-dimethyltetrahydrofuran skeleton.

Kingdom

Organic compounds

Super Class

Lignans, neolignans and related compounds

Class

Furanoid lignans

Sub Class

Tetrahydrofuran lignans

Direct Parent

7,7'-epoxylignans

Alternative Parents

Substituents

7,7p-epoxylignan
Dibenzylbutane lignan skeleton
Methoxyphenol
Dimethoxybenzene
O-dimethoxybenzene
Phenylpropane
Methoxybenzene
Anisole
Phenoxy compound
Phenol ether
Alkyl aryl ether
Phenol
1-hydroxy-2-unsubstituted benzenoid
Benzenoid
Monocyclic benzene moiety
Tetrahydrofuran
Secondary alcohol
Organoheterocyclic compound
Ether
Dialkyl ether
Oxacycle
Hydrocarbon derivative
Organooxygen compound
Alcohol
Organic oxygen compound
Aromatic alcohol
Aromatic heteromonocyclic compound

Molecular Framework

Aromatic heteromonocyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

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

Predicted Properties

Property	Value	Source
logP	5.91	ALOGPS
logP	6.44	ChemAxon
logS	-5.8	ALOGPS
pKa (Strongest Acidic)	9.91	ChemAxon
pKa (Strongest Basic)	-3.5	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	134.53 Å²	ChemAxon
Rotatable Bond Count	15	ChemAxon
Refractivity	195.27 m³·mol⁻¹	ChemAxon
Polarizability	77.74 Å³	ChemAxon
Number of Rings	5	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

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol (NP0317003)

MOL for NP0317003 (4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol)

3D MOL for NP0317003 (4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol)

3D SDF for NP0317003 (4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol)

3D-SDF for NP0317003 (4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol)

PDB for NP0317003 (4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol)

3D PDB for NP0317003 (4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol)

SMILES for NP0317003 (4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol)

INCHI for NP0317003 (4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol)

Structure for NP0317003 (4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol)

3D Structure for NP0317003 (4-(2-{4-[5-(4-{[1-(3,4-dimethoxyphenyl)-1-hydroxypropan-2-yl]oxy}-3-methoxyphenyl)-3,4-dimethyloxolan-2-yl]-2-methoxyphenoxy}-1-hydroxypropyl)-2-methoxyphenol)