NP-MRD: Showing NP-Card for 18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol (NP0281757)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-09 08:18:27 UTC

Updated at

2022-09-09 08:18:27 UTC

NP-MRD ID

NP0281757

Secondary Accession Numbers

None

Natural Product Identification

Common Name

18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol

Description

Gnemonol A belongs to the class of organic compounds known as 2-arylbenzofuran flavonoids. These are phenylpropanoids containing the 2-phenylbenzofuran moiety. Gnemonol A is an extremely weak basic (essentially neutral) compound (based on its pKa). Outside of the human body, gnemonol a has been detected, but not quantified in, green vegetables. 18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol is found in Gnetum gnemon. This could make gnemonol a a potential biomarker for the consumption of these foods.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv0541 02241211002D          

 52 60  0  0  0  0            999 V2000
   -1.2250    0.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5795   -0.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243   -0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5822    0.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243    0.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5795    0.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8231   -1.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2643   -2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5395   -2.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7845   -1.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9145   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6882   -0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7390    1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7005    1.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4672    2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1128    1.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917    0.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8245    0.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5993    0.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2380    0.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1017   -0.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3282   -1.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5568    1.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0728    1.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701    2.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511    2.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4336    2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098   -2.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690   -2.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6049   -1.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6551   -2.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0866   -0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9070   -0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3900   -0.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0515    0.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312    0.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7494    0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300   -3.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6145   -3.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2256   -2.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522   -2.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675   -1.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0115    0.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8809    1.8946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0537    2.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2848    3.3867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    1.5919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2119   -0.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0115   -3.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2202    3.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  2  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 20  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 46  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  2  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
 27 48  1  0  0  0  0
 28 29  2  0  0  0  0
 29 52  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 40  2  0  0  0  0
 33 44  1  0  0  0  0
 34 35  2  0  0  0  0
 34 39  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 50  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 49  1  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 51  1  0  0  0  0
 43 44  2  0  0  0  0
M  END

     RDKit          3D

 84 92  0  0  0  0  0  0  0  0999 V2000
    9.1779    0.6742    1.1056 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7920    0.8692    1.0583 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0192    0.5666    2.1483 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6593    0.7602    2.0957 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0034    1.2534    0.9854 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5589    1.4212    1.0335 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1515    2.6963    0.4846 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7395    2.5092    0.3407 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7577    3.4677    0.4235 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5536    3.0904    0.2582 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8390    1.7650    0.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1311    0.7883   -0.0701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4724    1.1736    0.0972 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7902    0.5524    0.0498 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.0308   -0.8352    0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0634   -1.6459   -0.9660 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3240   -2.9861   -0.9545 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3350   -3.7183   -2.1296 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5751   -3.5888    0.2561 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5581   -2.8358    1.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8187   -3.4955    2.6114 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2911   -1.4832    1.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0849   -0.6842   -0.2969 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3524   -1.1571   -0.0246 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4322   -2.5928    0.2218 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4223   -3.4888    0.0031 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6207   -4.8158    0.2892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8099   -5.2845    0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9528   -6.6394    1.0639 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8333   -4.4101    1.0203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6356   -3.0715    0.7326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6928   -2.2041    0.9730 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2137   -0.6175   -1.0734 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5740   -1.5115   -2.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1216   -2.8402   -2.0009 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3861   -1.1003   -3.0878 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8437    0.1786   -3.1687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6574    0.5702   -4.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4634    1.0639   -2.1648 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6656    0.6956   -1.1293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3399    1.7258   -0.1287 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6996    3.1064   -0.4989 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.0206    3.5801   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0130    2.7020    0.3167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2189    3.2110    0.7402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4530    4.5762    0.8263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6943    4.9869    1.2619 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4309    5.4217    0.4714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2082    4.9513    0.0421 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7447    3.8502    0.2926 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7825    1.5565   -0.1083 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1652    1.3635   -0.0653 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7405    0.8997    0.2979 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5113    0.1735    3.0442 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1032    0.4961    3.0061 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1652    1.2585    2.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9754    4.5207    0.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2246    0.8971   -0.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8671   -1.1816   -1.9222 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1540   -3.3019   -3.0329 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7836   -4.6601    0.2673 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8028   -3.5309    2.8917 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2910   -0.9473    2.2969 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6507   -1.2308    0.4972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2902   -0.9909   -1.3178 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6183   -0.6407    0.9457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5116   -3.1504   -0.3888 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1893   -5.5461    0.1156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8026   -7.0307    1.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7935   -4.7575    1.4223 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5512   -2.5735    1.3419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3903   -3.4760   -2.7148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6659   -1.8113   -3.8552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9272   -0.0613   -4.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8389    2.0525   -2.2442 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6982    1.4248    0.8896 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5058    3.3066   -1.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8590    1.6471    0.2646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9859    2.4776    1.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0072    5.9206    1.3742 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6440    6.4921    0.5494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4381    5.6640   -0.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2963    1.9400   -0.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7810    1.5991   -0.9187 H   0  0  0  0  0  0  0  0  0  0  0  0
 47 46  1  0
 46 45  2  0
 45 44  1  0
 44 43  2  0
 43 49  1  0
 49 48  2  0
 43 42  1  0
 42 50  1  0
 50 10  1  0
 10  9  2  0
  9  8  1  0
  8 13  2  0
 13 14  1  0
 14  6  1  0
  6  7  1  0
  6  5  1  0
  5  4  2  0
  4  3  1  0
  3  2  2  0
  2  1  1  0
  2 52  1  0
 52 51  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 17 18  1  0
 17 19  2  0
 19 20  1  0
 20 21  1  0
 20 22  2  0
 13 12  1  0
 12 11  2  0
 11 41  1  0
 41 40  1  0
 40 33  2  0
 33 24  1  0
 24 23  1  0
 24 25  1  0
 25 26  2  0
 26 27  1  0
 27 28  2  0
 28 29  1  0
 28 30  1  0
 30 31  2  0
 31 32  1  0
 33 34  1  0
 34 35  1  0
 34 36  2  0
 36 37  1  0
 37 38  1  0
 37 39  2  0
 48 46  1  0
 41 42  1  0
 39 40  1  0
 11 10  1  0
 31 25  1  0
  7  8  1  0
 51  5  1  0
 22 15  1  0
 23 12  1  0
 47 80  1  0
 45 79  1  0
 44 78  1  0
 49 82  1  0
 48 81  1  0
 42 77  1  6
  9 57  1  0
 14 58  1  6
  6 56  1  1
  4 55  1  0
  3 54  1  0
  1 53  1  0
 52 84  1  0
 51 83  1  0
 16 59  1  0
 18 60  1  0
 19 61  1  0
 21 62  1  0
 22 63  1  0
 41 76  1  1
 24 66  1  1
 23 64  1  0
 23 65  1  0
 26 67  1  0
 27 68  1  0
 29 69  1  0
 30 70  1  0
 32 71  1  0
 35 72  1  0
 36 73  1  0
 38 74  1  0
 39 75  1  0
M  END


  Mrv0541 02241211002D          

 52 60  0  0  0  0            999 V2000
   -1.2250    0.4783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2250   -0.3475    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5795   -0.8623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243   -0.6791    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5822    0.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2243    0.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5795    0.9889    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8231   -1.6496    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2643   -2.2552    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5395   -2.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7845   -1.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9145   -0.8030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6958   -1.6001    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6882   -0.5127    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7390    1.4514    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7005    1.8038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4672    2.1052    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1128    1.5919    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9917    0.7755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8245    0.3021    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5993    0.5912    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2380    0.0626    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1017   -0.7522    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3282   -1.0426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5568    1.3261    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0728    1.9717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7701    2.7411    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9511    2.8637    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4336    2.2153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2098   -2.5511    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8690   -2.0748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6049   -1.2890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6551   -2.3268    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0866   -0.6186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9070   -0.7040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3900   -0.0365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0515    0.7149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2312    0.7962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7494    0.1259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8300   -3.1334    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6145   -3.3867    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2256   -2.8347    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0522   -2.0294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2675   -1.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0115    0.3531    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8809    1.8946    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0537    2.3172    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2848    3.3867    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4445    1.5919    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2119   -0.1204    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0115   -3.0879    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2202    3.0137    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  2  0  0  0  0
  1 19  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3  8  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 10 30  1  0  0  0  0
 11 32  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 14 20  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  2  0  0  0  0
 15 29  1  0  0  0  0
 16 17  2  0  0  0  0
 16 47  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  2  0  0  0  0
 18 46  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 22 23  1  0  0  0  0
 22 45  1  0  0  0  0
 23 24  2  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
 27 48  1  0  0  0  0
 28 29  2  0  0  0  0
 29 52  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 32 34  1  0  0  0  0
 33 40  2  0  0  0  0
 33 44  1  0  0  0  0
 34 35  2  0  0  0  0
 34 39  1  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 50  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
 38 49  1  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 51  1  0  0  0  0
 43 44  2  0  0  0  0
M  END
> <DATABASE_ID>
NP0281757

> <DATABASE_NAME>
NP-MRD

> <SMILES>
OC1=CC=C(C=C1)C1OC2=CC3=C(C(C(O3)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C3=C2C1C1=C(C(C3)C2=CC=C(O)C=C2O)C(O)=CC(O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C42H32O10/c43-22-5-1-19(2-6-22)41-36(21-11-25(46)13-26(47)12-21)38-31-17-29(28-10-9-24(45)15-32(28)49)37-30(14-27(48)16-33(37)50)40-39(31)35(18-34(38)51-41)52-42(40)20-3-7-23(44)8-4-20/h1-16,18,29,36,40-50H,17H2

> <INCHI_KEY>
UEEKKINQMNKIGR-UHFFFAOYSA-N

> <FORMULA>
C42H32O10

> <MOLECULAR_WEIGHT>
696.6975

> <EXACT_MASS>
696.199547244

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_AVERAGE_POLARIZABILITY>
71.61086429382915

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
8

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1(20),2(6),7,12(17),13,15-hexaene-14,16-diol

> <ALOGPS_LOGP>
5.09

> <JCHEM_LOGP>
7.859131641666667

> <ALOGPS_LOGS>
-5.53

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
9

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
9.081368005431315

> <JCHEM_PKA_STRONGEST_ACIDIC>
8.68018629243948

> <JCHEM_PKA_STRONGEST_BASIC>
-5.446810371871401

> <JCHEM_POLAR_SURFACE_AREA>
180.29999999999998

> <JCHEM_REFRACTIVITY>
192.07340000000005

> <JCHEM_ROTATABLE_BOND_COUNT>
4

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.05e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1(20),2(6),7,12(17),13,15-hexaene-14,16-diol

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 24-FEB-12   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-FEB-12         0                                  
HETATM    1  C   UNK     0      -2.287   0.893   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0      -2.287  -0.649   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0      -1.082  -1.610   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       0.419  -1.268   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       1.087   0.117   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       0.419   1.504   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      -1.082   1.846   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0      -1.537  -3.079   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -0.493  -4.210   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       1.007  -3.873   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       1.464  -2.406   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0      -3.574  -1.499   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0      -3.165  -2.987   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0      -5.018  -0.957   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       1.380   2.709   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0      -1.308   3.367   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -2.739   3.930   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0      -3.944   2.971   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0      -3.718   1.448   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0      -5.272   0.564   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -6.719   1.103   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -7.911   0.117   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -7.656  -1.404   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -6.213  -1.946   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       2.906   2.475   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       3.869   3.681   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       3.304   5.117   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.775   5.346   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0       0.809   4.135   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0       2.258  -4.762   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0       3.489  -3.873   0.000  0.00  0.00           C+0
HETATM   32  C   UNK     0       2.996  -2.406   0.000  0.00  0.00           C+0
HETATM   33  C   UNK     0       4.956  -4.343   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       3.895  -1.155   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       5.426  -1.314   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       6.328  -0.068   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       5.696   1.335   0.000  0.00  0.00           C+0
HETATM   38  C   UNK     0       4.165   1.486   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       3.265   0.235   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       5.283  -5.849   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       6.747  -6.322   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       7.888  -5.291   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0       7.564  -3.788   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0       6.099  -3.318   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      -9.355   0.659   0.000  0.00  0.00           O+0
HETATM   46  O   UNK     0      -5.378   3.537   0.000  0.00  0.00           O+0
HETATM   47  O   UNK     0      -0.100   4.325   0.000  0.00  0.00           O+0
HETATM   48  O   UNK     0       4.265   6.322   0.000  0.00  0.00           O+0
HETATM   49  O   UNK     0       4.563   2.971   0.000  0.00  0.00           O+0
HETATM   50  O   UNK     0       7.862  -0.225   0.000  0.00  0.00           O+0
HETATM   51  O   UNK     0       9.355  -5.764   0.000  0.00  0.00           O+0
HETATM   52  O   UNK     0       0.411   5.625   0.000  0.00  0.00           O+0
CONECT    1    2    7   19                                                  
CONECT    2    1    3   12                                                  
CONECT    3    2    4    8                                                  
CONECT    4    3    5   11                                                  
CONECT    5    4    6                                                       
CONECT    6    5    7   15                                                  
CONECT    7    1    6   16                                                  
CONECT    8    3    9   13                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11   30                                                  
CONECT   11    4   10   32                                                  
CONECT   12    2   13   14                                                  
CONECT   13    8   12                                                       
CONECT   14   12   20   24                                                  
CONECT   15    6   25   29                                                  
CONECT   16    7   17   47                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   46                                                  
CONECT   19    1   18                                                       
CONECT   20   14   21                                                       
CONECT   21   20   22                                                       
CONECT   22   21   23   45                                                  
CONECT   23   22   24                                                       
CONECT   24   14   23                                                       
CONECT   25   15   26                                                       
CONECT   26   25   27                                                       
CONECT   27   26   28   48                                                  
CONECT   28   27   29                                                       
CONECT   29   15   28   52                                                  
CONECT   30   10   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   11   31   34                                                  
CONECT   33   31   40   44                                                  
CONECT   34   32   35   39                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   50                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39   49                                                  
CONECT   39   34   38                                                       
CONECT   40   33   41                                                       
CONECT   41   40   42                                                       
CONECT   42   41   43   51                                                  
CONECT   43   42   44                                                       
CONECT   44   33   43                                                       
CONECT   45   22                                                            
CONECT   46   18                                                            
CONECT   47   16                                                            
CONECT   48   27                                                            
CONECT   49   38                                                            
CONECT   50   36                                                            
CONECT   51   42                                                            
CONECT   52   29                                                            
MASTER        0    0    0    0    0    0    0    0   52    0  120    0
END

View in JSmol

Synonyms

Value	Source
Gnemonol a	MeSH

Chemical Formula

C₄₂H₃₂O₁₀

Average Mass

696.6975 Da

Monoisotopic Mass

696.19955 Da

IUPAC Name

18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1(20),2(6),7,12(17),13,15-hexaene-14,16-diol

Traditional Name

18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1(20),2(6),7,12(17),13,15-hexaene-14,16-diol

CAS Registry Number

Not Available

SMILES

OC1=CC=C(C=C1)C1OC2=CC3=C(C(C(O3)C3=CC=C(O)C=C3)C3=CC(O)=CC(O)=C3)C3=C2C1C1=C(C(C3)C2=CC=C(O)C=C2O)C(O)=CC(O)=C1

InChI Identifier

InChI=1S/C42H32O10/c43-22-5-1-19(2-6-22)41-36(21-11-25(46)13-26(47)12-21)38-31-17-29(28-10-9-24(45)15-32(28)49)37-30(14-27(48)16-33(37)50)40-39(31)35(18-34(38)51-41)52-42(40)20-3-7-23(44)8-4-20/h1-16,18,29,36,40-50H,17H2

InChI Key

UEEKKINQMNKIGR-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
Gnetum gnemon	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

Not Available

Substituents

Not Available

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	5.09	ALOGPS
logP	7.86	ChemAxon
logS	-5.5	ALOGPS
pKa (Strongest Acidic)	8.68	ChemAxon
pKa (Strongest Basic)	-5.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	8	ChemAxon
Polar Surface Area	180.3 Å²	ChemAxon
Rotatable Bond Count	4	ChemAxon
Refractivity	192.07 m³·mol⁻¹	ChemAxon
Polarizability	71.61 Å³	ChemAxon
Number of Rings	9	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	ChemAxon

External Links

HMDB ID

HMDB0039969

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

FDB019636

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

73156136

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for 18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol (NP0281757)

MOL for NP0281757 (18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol)

3D MOL for NP0281757 (18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol)

3D SDF for NP0281757 (18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol)

3D-SDF for NP0281757 (18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol)

PDB for NP0281757 (18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol)

3D PDB for NP0281757 (18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol)

SMILES for NP0281757 (18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol)

INCHI for NP0281757 (18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol)

Structure for NP0281757 (18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol)

3D Structure for NP0281757 (18-(2,4-dihydroxyphenyl)-3-(3,5-dihydroxyphenyl)-4,10-bis(4-hydroxyphenyl)-5,9-dioxapentacyclo[9.8.1.0²,⁶.0⁸,²⁰.0¹²,¹⁷]icosa-1,6,8(20),12,14,16-hexaene-14,16-diol)