NP-MRD: Showing NP-Card for 3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one (NP0240910)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-07 00:50:43 UTC

Updated at

2022-09-07 00:50:43 UTC

NP-MRD ID

NP0240910

Secondary Accession Numbers

None

Natural Product Identification

Common Name

3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one

Description

Lappaol F belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. 3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one is found in Arctium lappa. Lappaol F is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004201506282D          

 52 58  0  0  0  0            999 V2000
   -3.4218   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1843   -5.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -5.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9468   -5.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -6.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1843   -6.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -5.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4218   -5.8559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1218   -5.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632   -5.1885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478   -5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8623   -5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8623   -4.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767   -5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767   -6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2912   -6.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0057   -6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0919   -5.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8989   -5.2764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3114   -5.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1319   -6.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594   -6.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9309   -7.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7155   -7.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3286   -7.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1132   -7.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7263   -6.8168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5109   -7.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2847   -8.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9992   -8.5883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8277   -9.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0072   -9.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5947  -10.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7697  -10.1960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6716   -8.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8870   -8.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3797  -10.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1867   -9.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7387  -10.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4838  -11.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0358  -11.8476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6768  -11.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4219  -12.1907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6149  -12.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1248  -10.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8623   -6.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478   -6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632   -6.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1082   -7.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6987   -7.4795    0.0000 O   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
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  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  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  2  0  0  0  0
 26 38  1  0  0  0  0
 33 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 44 47  2  0  0  0  0
 39 47  1  0  0  0  0
 17 48  1  0  0  0  0
 48 49  2  0  0  0  0
 12 49  1  0  0  0  0
 49 50  1  0  0  0  0
 10 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
M  END

     RDKit          3D

 94100  0  0  0  0  0  0  0  0999 V2000
    6.8458    4.9652   -1.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0039    4.3826   -0.4986 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1289    3.0892   -0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0776    2.1981    0.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1761    0.9233    0.4733 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0856   -0.0393    0.5336 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.8402    0.4957    0.9582 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9033   -0.5143    0.6567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6767   -0.8686    1.1741 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1822   -0.1097    2.2312 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9102   -0.4295    2.8193 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9266   -1.9323    0.6948 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3938   -2.6989   -0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6950   -3.8726   -0.9209 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8590   -3.6135   -2.1094 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.2060   -4.9104   -2.6330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9058   -4.4467   -3.3889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0871   -3.0718   -3.2168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6870   -2.2985   -3.9772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3830   -2.7892   -1.9046 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.2992   -3.3496   -0.8267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5149   -2.5153   -0.6851 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6387   -2.8447   -1.4153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8094   -2.1210   -1.3508 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9463   -2.4631   -2.0951 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8874   -3.5778   -2.9302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8886   -1.0192   -0.5324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7824   -0.6676    0.2069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6076   -1.4138    0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1810    0.5610    0.9764 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0853    1.5828    0.8740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9681    1.0869    1.5353 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4225    1.0661    0.2645 C   0  0  2  0  0  0  0  0  0  0  0  0
   -6.3923    1.6888    1.1958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0011    0.9648    2.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9256    1.5748    3.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2317    2.9028    2.9069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1429    3.5138    3.7496 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6327    3.6582    1.9252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9649    4.9899    1.8216 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4581    5.8943    0.8879 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7177    3.0453    1.0777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9487   -0.1307   -0.2923 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6383   -2.3316   -0.8657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3765   -1.2757   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7029   -0.6923   -0.7627 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.4481    0.2954   -1.8766 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1024   -0.4553   -3.0156 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4255    0.5037    0.9517 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5149    1.3618    0.9464 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3518    2.6625    0.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4167    3.5596    0.4298 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9652    4.8559   -0.3660 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0517    6.0716   -1.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6917    4.5509   -2.0299 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1180    2.5698   -0.3747 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2962   -0.8845    1.2467 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9483   -1.4771    3.2429 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6373    0.3079    3.5872 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2196   -0.4910    1.9595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9805   -2.1790    1.1248 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4914   -4.6090   -1.2337 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1449   -4.3883   -0.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4035   -3.1549   -2.9596 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9107   -5.4908   -3.2545 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1260   -5.5527   -1.7941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2038   -1.7282   -1.7557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6487   -4.3842   -1.1183 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7064   -3.4245    0.1009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5864   -3.7157   -2.0688 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1628   -3.4386   -3.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5204   -4.4509   -2.3167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9006   -3.7992   -3.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7447   -1.1319    0.7095 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4272    0.3411    2.0129 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3837    2.5223    1.3935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8034    1.7582   -0.1826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2356    1.7659    1.5884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1691    1.7842   -0.5206 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7716   -0.0963    2.2992 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3623    0.9499    3.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5831    2.9548    4.4687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4942    6.9187    1.3345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1269    5.8247   -0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4160    5.6895    0.6197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2541    3.6339    0.3152 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9966   -2.9533   -1.6953 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4157   -1.4882   -1.0669 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5423    0.8741   -1.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3309    0.9308   -2.0999 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7124    0.1560   -3.7202 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5775   -0.4938    1.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.4952    1.0878    1.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3194    3.2701    0.7709 H   0  0  0  0  0  0  0  0  0  0  0  0
 11 10  1  0
 10  9  1  0
  9  8  2  0
  8  7  1  0
  7  6  1  0
  6 46  1  0
 46 47  1  0
 47 48  1  0
 46 45  1  0
 45 44  2  0
 44 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  1  0
 17 18  1  0
 18 19  2  0
 18 20  1  0
 20 21  1  0
 21 22  1  0
 22 23  2  0
 23 24  1  0
 24 25  1  0
 25 26  1  0
 24 27  2  0
 27 43  1  0
 43 33  1  0
 33 30  1  0
 30 31  1  0
 31 32  1  0
 30 28  1  0
 28 29  2  0
 33 34  1  0
 34 35  2  0
 35 36  1  0
 36 37  2  0
 37 38  1  0
 37 39  1  0
 39 40  1  0
 40 41  1  0
 39 42  2  0
 13 12  2  0
  6  5  1  0
  5 49  2  0
 49 50  1  0
 50 51  2  0
 51 52  1  0
 51  3  1  0
  3  2  1  0
  2  1  1  0
  3  4  2  0
 12  9  1  0
  4  5  1  0
 45  8  1  0
 20 15  1  0
 29 22  1  0
 42 34  1  0
 28 27  1  0
 11 58  1  0
 11 59  1  0
 11 60  1  0
  6 57  1  1
 46 88  1  6
 47 89  1  0
 47 90  1  0
 48 91  1  0
 44 87  1  0
 14 62  1  0
 14 63  1  0
 15 64  1  6
 16 65  1  0
 16 66  1  0
 20 67  1  1
 21 68  1  0
 21 69  1  0
 23 70  1  0
 26 71  1  0
 26 72  1  0
 26 73  1  0
 33 79  1  6
 30 75  1  1
 31 76  1  0
 31 77  1  0
 32 78  1  0
 29 74  1  0
 35 80  1  0
 36 81  1  0
 38 82  1  0
 41 83  1  0
 41 84  1  0
 41 85  1  0
 42 86  1  0
 12 61  1  0
 49 92  1  0
 50 93  1  0
 52 94  1  0
  1 53  1  0
  1 54  1  0
  1 55  1  0
  4 56  1  0
M  END


  Mrv1533004201506282D          

 52 58  0  0  0  0            999 V2000
   -3.4218   -4.4270    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -4.4270    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1843   -5.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -5.1415    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9468   -5.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3593   -6.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1843   -6.5704    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5968   -5.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4218   -5.8559    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1218   -5.8559    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632   -5.1885    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478   -5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8623   -5.0309    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8623   -4.2059    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767   -3.7934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767   -5.4434    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5767   -6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2912   -6.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0057   -6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0919   -5.4479    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8989   -5.2764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3114   -5.9909    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1319   -6.0771    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7594   -6.6040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9309   -7.4110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7155   -7.6659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3286   -7.1139    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1132   -7.3688    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7263   -6.8168    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.5109   -7.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2847   -8.1758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9992   -8.5883    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8277   -9.3952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0072   -9.4815    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5947  -10.1960    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7697  -10.1960    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6716   -8.7278    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8870   -8.4729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3797  -10.0083    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1867   -9.8368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7387  -10.4499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4838  -11.2345    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0358  -11.8476    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.6768  -11.4061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4219  -12.1907    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6149  -12.3622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1248  -10.7930    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8623   -6.6809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1478   -6.2684    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3632   -6.5234    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1082   -7.3080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6987   -7.4795    0.0000 O   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
  5 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 13 16  1  0  0  0  0
 16 17  2  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  2  0  0  0  0
 22 24  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  2  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 29 30  1  0  0  0  0
 28 31  2  0  0  0  0
 31 32  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  1  0  0  0  0
 35 36  1  0  0  0  0
 34 37  1  0  0  0  0
 31 37  1  0  0  0  0
 37 38  2  0  0  0  0
 26 38  1  0  0  0  0
 33 39  1  0  0  0  0
 39 40  2  0  0  0  0
 40 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 42 44  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 44 47  2  0  0  0  0
 39 47  1  0  0  0  0
 17 48  1  0  0  0  0
 48 49  2  0  0  0  0
 12 49  1  0  0  0  0
 49 50  1  0  0  0  0
 10 50  1  0  0  0  0
 50 51  1  0  0  0  0
 51 52  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0240910

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C2OC(C(CO)C2=CC(CC2COC(=O)C2CC2=CC(OC)=C3OC(C(CO)C3=C2)C2=CC=C(O)C(OC)=C2)=C1)C1=CC=C(O)C(OC)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3

> <INCHI_KEY>
YXNKOCZXAVTXTG-UHFFFAOYSA-N

> <FORMULA>
C40H42O12

> <MOLECULAR_WEIGHT>
714.764

> <EXACT_MASS>
714.267626792

> <JCHEM_ACCEPTOR_COUNT>
11

> <JCHEM_ATOM_COUNT>
94

> <JCHEM_AVERAGE_POLARIZABILITY>
76.6066445574771

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
4

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one

> <ALOGPS_LOGP>
4.30

> <JCHEM_LOGP>
4.249056709000001

> <ALOGPS_LOGS>
-5.10

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
7

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
10.210997758085332

> <JCHEM_PKA_STRONGEST_ACIDIC>
9.608942276820684

> <JCHEM_PKA_STRONGEST_BASIC>
-2.713669217360991

> <JCHEM_POLAR_SURFACE_AREA>
162.6

> <JCHEM_REFRACTIVITY>
189.27499999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
5.63e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one

> <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      -6.387  -8.264   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      -4.847  -8.264   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      -4.077  -9.597   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      -2.537  -9.597   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.767 -10.931   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      -2.537 -12.265   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -4.077 -12.265   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -4.847 -10.931   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0      -6.387 -10.931   0.000  0.00  0.00           O+0
HETATM   10  C   UNK     0      -0.227 -10.931   0.000  0.00  0.00           C+0
HETATM   11  O   UNK     0       0.678  -9.685   0.000  0.00  0.00           O+0
HETATM   12  C   UNK     0       2.143 -10.161   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0       3.476  -9.391   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0       3.476  -7.851   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       4.810  -7.081   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       4.810 -10.161   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.810 -11.701   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       6.144 -12.471   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       7.477 -11.701   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       7.638 -10.170   0.000  0.00  0.00           C+0
HETATM   21  O   UNK     0       9.145  -9.849   0.000  0.00  0.00           O+0
HETATM   22  C   UNK     0       9.915 -11.183   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      11.446 -11.344   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       8.884 -12.327   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       9.204 -13.834   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      10.669 -14.310   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      11.813 -13.279   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0      13.278 -13.755   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      14.422 -12.725   0.000  0.00  0.00           O+0
HETATM   30  C   UNK     0      15.887 -13.201   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0      13.598 -15.261   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      14.932 -16.031   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      14.612 -17.538   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0      13.080 -17.699   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0      12.310 -19.032   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0      10.770 -19.032   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0      12.454 -16.292   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0      10.989 -15.816   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0      15.642 -18.682   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0      17.148 -18.362   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      18.179 -19.506   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      17.703 -20.971   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0      18.734 -22.116   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0      16.197 -21.291   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      15.721 -22.756   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      14.214 -23.076   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0      15.166 -20.147   0.000  0.00  0.00           C+0
HETATM   48  C   UNK     0       3.476 -12.471   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       2.143 -11.701   0.000  0.00  0.00           C+0
HETATM   50  C   UNK     0       0.678 -12.177   0.000  0.00  0.00           C+0
HETATM   51  C   UNK     0       0.202 -13.642   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      -1.304 -13.962   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4    8                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   10                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    3    9                                                  
CONECT    9    8                                                            
CONECT   10    5   11   50                                                  
CONECT   11   10   12                                                       
CONECT   12   11   13   49                                                  
CONECT   13   12   14   16                                                  
CONECT   14   13   15                                                       
CONECT   15   14                                                            
CONECT   16   13   17                                                       
CONECT   17   16   18   48                                                  
CONECT   18   17   19                                                       
CONECT   19   18   20   24                                                  
CONECT   20   19   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   24                                                  
CONECT   23   22                                                            
CONECT   24   22   19   25                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   38                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   32   37                                                  
CONECT   32   31   33                                                       
CONECT   33   32   34   39                                                  
CONECT   34   33   35   37                                                  
CONECT   35   34   36                                                       
CONECT   36   35                                                            
CONECT   37   34   31   38                                                  
CONECT   38   37   26                                                       
CONECT   39   33   40   47                                                  
CONECT   40   39   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   44                                                  
CONECT   43   42                                                            
CONECT   44   42   45   47                                                  
CONECT   45   44   46                                                       
CONECT   46   45                                                            
CONECT   47   44   39                                                       
CONECT   48   17   49                                                       
CONECT   49   48   12   50                                                  
CONECT   50   49   10   51                                                  
CONECT   51   50   52                                                       
CONECT   52   51                                                            
MASTER        0    0    0    0    0    0    0    0   52    0  116    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₄₀H₄₂O₁₂

Average Mass

714.7640 Da

Monoisotopic Mass

714.26763 Da

IUPAC Name

3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one

Traditional Name

3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one

CAS Registry Number

Not Available

SMILES

COC1=C2OC(C(CO)C2=CC(CC2COC(=O)C2CC2=CC(OC)=C3OC(C(CO)C3=C2)C2=CC=C(O)C(OC)=C2)=C1)C1=CC=C(O)C(OC)=C1

InChI Identifier

InChI=1S/C40H42O12/c1-46-32-15-22(5-7-30(32)43)36-28(17-41)26-11-20(13-34(48-3)38(26)51-36)9-24-19-50-40(45)25(24)10-21-12-27-29(18-42)37(52-39(27)35(14-21)49-4)23-6-8-31(44)33(16-23)47-2/h5-8,11-16,24-25,28-29,36-37,41-44H,9-10,17-19H2,1-4H3

InChI Key

YXNKOCZXAVTXTG-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
Arctium lappa	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

2-arylbenzofuran flavonoids

Sub Class

Not Available

Direct Parent

2-arylbenzofuran flavonoids

Alternative Parents

Substituents

2-arylbenzofuran flavonoid
Dibenzylbutyrolactone
Lignan lactone
Tetrahydrofuran lignan
9,9p-epoxylignan
Furanoid lignan
Norlignan skeleton
Neolignan skeleton
Methoxyphenol
Coumaran
Benzofuran
Methoxybenzene
Anisole
Phenol ether
Phenoxy compound
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Phenol
Monocyclic benzene moiety
Benzenoid
Gamma butyrolactone
Oxolane
Carboxylic acid ester
Lactone
Oxacycle
Organoheterocyclic compound
Carboxylic acid derivative
Ether
Monocarboxylic acid or derivatives
Organic oxygen compound
Carbonyl group
Primary alcohol
Organooxygen compound
Hydrocarbon derivative
Organic oxide
Alcohol
Aromatic heteropolycyclic compound

Molecular Framework

Aromatic heteropolycyclic compounds

External Descriptors

Not Available

Physical Properties

State

Not Available

Experimental Properties

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

Predicted Properties

Property	Value	Source
logP	4.3	ALOGPS
logP	4.25	ChemAxon
logS	-5.1	ALOGPS
pKa (Strongest Acidic)	9.61	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	11	ChemAxon
Hydrogen Donor Count	4	ChemAxon
Polar Surface Area	162.6 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	189.28 m³·mol⁻¹	ChemAxon
Polarizability	76.61 Å³	ChemAxon
Number of Rings	7	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

10010055

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one (NP0240910)

MOL for NP0240910 (3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one)

3D MOL for NP0240910 (3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one)

3D SDF for NP0240910 (3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one)

3D-SDF for NP0240910 (3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one)

PDB for NP0240910 (3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one)

3D PDB for NP0240910 (3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one)

SMILES for NP0240910 (3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one)

INCHI for NP0240910 (3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one)

Structure for NP0240910 (3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one)

3D Structure for NP0240910 (3,4-bis({[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]methyl})oxolan-2-one)