NP-MRD: Showing NP-Card for (2s,3s,4r,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid (NP0237585)

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Record Information

Version

2.0

Created at

2022-09-06 20:46:28 UTC

Updated at

2022-09-06 20:46:28 UTC

NP-MRD ID

NP0237585

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(2s,3s,4r,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid

Description

3-[[4-O-[2-O-[3-(3,4-Dihydroxyphenyl)propenoyl]-beta-D-glucopyranosyl]-beta-D-glucopyranuronosyl]oxy]-3',4',5,6-tetrahydroxy-7-methoxyflavone belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position. (2s,3s,4r,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid is found in Paepalanthus latipes. Based on a literature review very few articles have been published on 3-[[4-O-[2-O-[3-(3,4-Dihydroxyphenyl)propenoyl]-beta-D-glucopyranosyl]-beta-D-glucopyranuronosyl]oxy]-3',4',5,6-tetrahydroxy-7-methoxyflavone.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309062222462D          

 59 64  0  0  1  0            999 V2000
   -0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013    1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158    0.8250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302    1.2375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -0.4125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -5.3625    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.1447   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -6.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.1447   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.2868   -6.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -7.8375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    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  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  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  2  0  0  0  0
  8 15  1  0  0  0  0
  7 16  2  0  0  0  0
 16 17  1  0  0  0  0
 18 17  1  1  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  1  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  6  0  0  0
 26 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 26 35  1  0  0  0  0
 35 36  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 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
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
 41 48  1  0  0  0  0
 24 49  1  0  0  0  0
 49 50  1  1  0  0  0
 49 51  1  0  0  0  0
 18 51  1  0  0  0  0
 51 52  1  6  0  0  0
 16 53  1  0  0  0  0
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
  5 55  1  0  0  0  0
 55 56  2  0  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
  3 58  2  0  0  0  0
 58 59  1  0  0  0  0
M  END

     RDKit          3D

 95100  0  0  0  0  0  0  0  0999 V2000
   -9.8075   -3.0974   -1.3610 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.7794   -3.6131   -0.5778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6339   -2.9633   -0.1819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3852   -1.6695   -0.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2475   -0.9994   -0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0605    0.2211   -0.4566 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9672    0.9505   -0.1382 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9507    2.3314   -0.5683 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0365    2.7725   -1.3827 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0150    4.0833   -1.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0699    4.9889   -1.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0818    6.3471   -1.7878 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0243    4.5837   -0.6087 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0174    5.4576   -0.2089 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9864    3.2253   -0.1998 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0238    0.3099    0.5638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8229    0.8826    0.9259 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6124    0.5582    0.2820 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.5796    0.3002    1.1427 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6557    0.8152    0.8493 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8296    2.2487    1.2012 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9556    2.8039    0.9655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1500    3.0105    1.7623 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1689    0.5744   -0.5300 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.5253   -0.6882   -0.7847 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4902   -1.0791   -1.6391 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.0270   -2.1119   -2.4549 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7628   -2.3045   -3.5790 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.1486   -3.4551   -4.4196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1944   -4.6517   -3.6955 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1465   -2.7819   -3.1757 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.9388   -2.9022   -4.2961 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7242   -1.7906   -2.2290 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.9982   -2.1604   -1.8003 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7501   -1.6356   -1.0048 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.4163   -0.7492   -0.1496 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0148   -1.2066    1.0061 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8967   -2.5030    1.1505 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7102   -0.5413    2.0178 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9567    0.7657    2.1739 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6608    1.4209    3.2258 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9878    2.7696    3.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6061    3.4137    4.1644 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9364    2.7779    5.3497 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5578    3.4713    6.3714 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6228    1.4283    5.4826 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9433    0.8161    6.6165 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9899    0.7982    4.4002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0397    0.9193   -1.5502 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.4556    1.9522   -2.4068 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2210    1.4109   -0.8674 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.2265    1.1568   -1.8541 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1627   -1.0405    0.9742 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -5.3161   -1.6968    0.6127 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5356   -3.0293    0.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5541   -3.6478    1.7252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6968   -3.6843    0.5838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9474   -4.9782    0.9295 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9480   -2.0299   -1.2369 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7508   -3.6834   -1.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4941   -3.2748   -2.4496 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1246   -1.1055   -1.1254 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8178    2.0859   -1.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8661    4.4228   -2.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8067    6.7471   -2.3714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2517    5.1130    0.3638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1683    2.9897    0.4429 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8470   -0.4848   -0.2019 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3589    0.2660    1.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929    2.7044    2.6362 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9070    1.3699   -0.8154 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8333   -0.2369   -2.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8617   -1.4352   -4.2317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7444   -3.5505   -5.3387 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1071   -3.2155   -4.6357 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2146   -5.3766   -4.3863 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0819   -3.8092   -2.7233 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1303   -3.8500   -4.5416 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.6034   -2.6310   -0.6001 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.5226    1.3594    1.3282 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7392    3.2701    2.2146 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8958    4.4796    4.0893 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7831    3.0176    7.2441 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8527   -0.0622    6.9751 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7674   -0.2473    4.5572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2140    0.0457   -2.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4269    2.1706   -2.2402 H   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.6809   -4.5969    1.9969 H   0  0  0  0  0  0  0  0  0  0  0  0
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 49 90  1  6
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 51 92  1  1
 52 93  1  0
 23 71  1  0
  4 63  1  0
M  END


  Mrv1652309062222462D          

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    5.0013   -6.1875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
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    5.0013   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592  -10.3125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302  -11.1375    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -9.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -3.7125    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.7158   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -2.8875    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.7158   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    2.8579   -2.4750    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289   -1.6500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
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  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
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 10 11  2  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
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  8 15  1  0  0  0  0
  7 16  2  0  0  0  0
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 18 19  1  0  0  0  0
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 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 20 24  1  0  0  0  0
 24 25  1  6  0  0  0
 26 25  1  6  0  0  0
 26 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  6  0  0  0
 29 30  1  0  0  0  0
 28 31  1  0  0  0  0
 31 32  1  1  0  0  0
 31 33  1  0  0  0  0
 33 34  1  6  0  0  0
 33 35  1  0  0  0  0
 26 35  1  0  0  0  0
 35 36  1  1  0  0  0
 36 37  1  0  0  0  0
 37 38  2  0  0  0  0
 37 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
 43 44  2  0  0  0  0
 44 45  1  0  0  0  0
 44 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 48  2  0  0  0  0
 41 48  1  0  0  0  0
 24 49  1  0  0  0  0
 49 50  1  1  0  0  0
 49 51  1  0  0  0  0
 18 51  1  0  0  0  0
 51 52  1  6  0  0  0
 16 53  1  0  0  0  0
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
  5 55  1  0  0  0  0
 55 56  2  0  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
  3 58  2  0  0  0  0
 58 59  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0237585

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=C(O)C(O)=C2C(OC(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)\C=C\C4=CC=C(O)C(O)=C4)[C@H](O)[C@H]3O)C(O)=O)C2=O)=C1

> <INCHI_IDENTIFIER>
InChI=1S/C37H36O22/c1-53-19-10-18-22(25(46)23(19)44)26(47)31(30(54-18)13-4-6-15(40)17(42)9-13)57-36-29(50)28(49)32(34(59-36)35(51)52)58-37-33(27(48)24(45)20(11-38)55-37)56-21(43)7-3-12-2-5-14(39)16(41)8-12/h2-10,20,24,27-29,32-34,36-42,44-46,48-50H,11H2,1H3,(H,51,52)/b7-3+/t20-,24-,27+,28-,29-,32+,33-,34+,36-,37+/m1/s1

> <INCHI_KEY>
ROSPRFIAUPZHAP-MMKHBIHJSA-N

> <FORMULA>
C37H36O22

> <MOLECULAR_WEIGHT>
832.673

> <EXACT_MASS>
832.169822799

> <JCHEM_ACCEPTOR_COUNT>
21

> <JCHEM_ATOM_COUNT>
95

> <JCHEM_AVERAGE_POLARIZABILITY>
78.24650829457838

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
12

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(2S,3S,4R,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxo-4H-chromen-3-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid

> <JCHEM_LOGP>
0.6736924053333355

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA>
7.350837007896089

> <JCHEM_PKA_STRONGEST_ACIDIC>
2.80853701958581

> <JCHEM_PKA_STRONGEST_BASIC>
-5.402183461062093

> <JCHEM_POLAR_SURFACE_AREA>
358.58000000000004

> <JCHEM_REFRACTIVITY>
191.54890000000003

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(2S,3S,4R,5R,6S)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2S,3R,4S,5S,6R)-3-{[(2E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 06-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   06-SEP-22         0                                  
HETATM    1  C   UNK     0      -1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0       0.000   0.000   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM    6  O   UNK     0       5.335   0.000   0.000  0.00  0.00           O+0
HETATM    7  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0      12.003   2.310   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   14  O   UNK     0      12.003  -0.770   0.000  0.00  0.00           O+0
HETATM   15  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   19  O   UNK     0       6.668  -5.390   0.000  0.00  0.00           O+0
HETATM   20  C   UNK     0       6.668  -6.930   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0       5.335  -7.700   0.000  0.00  0.00           C+0
HETATM   22  O   UNK     0       4.001  -6.930   0.000  0.00  0.00           O+0
HETATM   23  O   UNK     0       5.335  -9.240   0.000  0.00  0.00           O+0
HETATM   24  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   25  O   UNK     0       8.002  -9.240   0.000  0.00  0.00           O+0
HETATM   26  C   UNK     0       9.336 -10.010   0.000  0.00  0.00           C+0
HETATM   27  O   UNK     0      10.669  -9.240   0.000  0.00  0.00           O+0
HETATM   28  C   UNK     0      12.003 -10.010   0.000  0.00  0.00           C+0
HETATM   29  C   UNK     0      13.337  -9.240   0.000  0.00  0.00           C+0
HETATM   30  O   UNK     0      14.670 -10.010   0.000  0.00  0.00           O+0
HETATM   31  C   UNK     0      12.003 -11.550   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0      13.337 -12.320   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0      10.669 -12.320   0.000  0.00  0.00           C+0
HETATM   34  O   UNK     0      10.669 -13.860   0.000  0.00  0.00           O+0
HETATM   35  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM   36  O   UNK     0       8.002 -12.320   0.000  0.00  0.00           O+0
HETATM   37  C   UNK     0       8.002 -13.860   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       6.668 -14.630   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       9.336 -14.630   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       9.336 -16.170   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0      10.669 -16.940   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0      12.003 -16.170   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      13.337 -16.940   0.000  0.00  0.00           C+0
HETATM   44  C   UNK     0      13.337 -18.480   0.000  0.00  0.00           C+0
HETATM   45  O   UNK     0      14.670 -19.250   0.000  0.00  0.00           O+0
HETATM   46  C   UNK     0      12.003 -19.250   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0      12.003 -20.790   0.000  0.00  0.00           O+0
HETATM   48  C   UNK     0      10.669 -18.480   0.000  0.00  0.00           C+0
HETATM   49  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      10.669  -7.700   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   54  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   55  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   56  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   57  O   UNK     0       2.667  -4.620   0.000  0.00  0.00           O+0
HETATM   58  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   59  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   58                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   55                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8   16                                                  
CONECT    8    7    9   15                                                  
CONECT    9    8   10                                                       
CONECT   10    9   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14   15                                                  
CONECT   14   13                                                            
CONECT   15   13    8                                                       
CONECT   16    7   17   53                                                  
CONECT   17   16   18                                                       
CONECT   18   17   19   51                                                  
CONECT   19   18   20                                                       
CONECT   20   19   21   24                                                  
CONECT   21   20   22   23                                                  
CONECT   22   21                                                            
CONECT   23   21                                                            
CONECT   24   20   25   49                                                  
CONECT   25   24   26                                                       
CONECT   26   25   27   35                                                  
CONECT   27   26   28                                                       
CONECT   28   27   29   31                                                  
CONECT   29   28   30                                                       
CONECT   30   29                                                            
CONECT   31   28   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   35                                                  
CONECT   34   33                                                            
CONECT   35   33   26   36                                                  
CONECT   36   35   37                                                       
CONECT   37   36   38   39                                                  
CONECT   38   37                                                            
CONECT   39   37   40                                                       
CONECT   40   39   41                                                       
CONECT   41   40   42   48                                                  
CONECT   42   41   43                                                       
CONECT   43   42   44                                                       
CONECT   44   43   45   46                                                  
CONECT   45   44                                                            
CONECT   46   44   47   48                                                  
CONECT   47   46                                                            
CONECT   48   46   41                                                       
CONECT   49   24   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   18   52                                                  
CONECT   52   51                                                            
CONECT   53   16   54   55                                                  
CONECT   54   53                                                            
CONECT   55   53    5   56                                                  
CONECT   56   55   57   58                                                  
CONECT   57   56                                                            
CONECT   58   56    3   59                                                  
CONECT   59   58                                                            
MASTER        0    0    0    0    0    0    0    0   59    0  128    0
END

View in JSmol

Synonyms

Value	Source
3-[[4-O-[2-O-[3-(3,4-Dihydroxyphenyl)propenoyl]-b-D-glucopyranosyl]-b-D-glucopyranuronosyl]oxy]-3',4',5,6-tetrahydroxy-7-methoxyflavone	Generator
3-[[4-O-[2-O-[3-(3,4-Dihydroxyphenyl)propenoyl]-β-D-glucopyranosyl]-β-D-glucopyranuronosyl]oxy]-3',4',5,6-tetrahydroxy-7-methoxyflavone	Generator

Chemical Formula

C₃₇H₃₆O₂₂

Average Mass

832.6730 Da

Monoisotopic Mass

832.16982 Da

IUPAC Name

Not Available

Traditional Name

Not Available

CAS Registry Number

Not Available

SMILES

COC1=C(O)C(O)=C2C(OC(C3=CC=C(O)C(O)=C3)=C(O[C@@H]3O[C@@H]([C@@H](O[C@@H]4O[C@H](CO)[C@@H](O)[C@H](O)[C@H]4OC(=O)\C=C\C4=CC=C(O)C(O)=C4)[C@H](O)[C@H]3O)C(O)=O)C2=O)=C1

InChI Identifier

InChI=1S/C37H36O22/c1-53-19-10-18-22(25(46)23(19)44)26(47)31(30(54-18)13-4-6-15(40)17(42)9-13)57-36-29(50)28(49)32(34(59-36)35(51)52)58-37-33(27(48)24(45)20(11-38)55-37)56-21(43)7-3-12-2-5-14(39)16(41)8-12/h2-10,20,24,27-29,32-34,36-42,44-46,48-50H,11H2,1H3,(H,51,52)/b7-3+/t20-,24-,27+,28-,29-,32+,33-,34+,36-,37+/m1/s1

InChI Key

ROSPRFIAUPZHAP-MMKHBIHJSA-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
Paepalanthus latipes	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as flavonoid-3-o-glucuronides. These are phenolic compounds containing a flavonoid moiety which is O-glycosidically linked to glucuronic acid at the C3-position.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Flavonoids

Sub Class

Flavonoid glycosides

Direct Parent

Flavonoid-3-O-glucuronides

Alternative Parents

Substituents

Flavonoid-3-o-glucuronide
Flavonoid-3-o-glycoside
7-methoxyflavonoid-skeleton
3'-hydroxyflavonoid
4'-hydroxyflavonoid
5-hydroxyflavonoid
6-hydroxyflavonoid
Flavone
Hydroxyflavonoid
Fatty acyl glycoside
Fatty acyl glycoside of mono- or disaccharide
1-o-glucuronide
O-glucuronide
Glucuronic acid or derivatives
Cinnamic acid or derivatives
Coumaric acid or derivatives
Hydroxycinnamic acid or derivatives
Cinnamic acid ester
O-glycosyl compound
Chromone
Glycosyl compound
Disaccharide
1-benzopyran
Benzopyran
Styrene
Anisole
Catechol
Pyranone
Alkyl aryl ether
Phenol
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Fatty acid ester
Pyran
Oxane
Monocyclic benzene moiety
Benzenoid
Dicarboxylic acid or derivatives
Fatty acyl
Heteroaromatic compound
Vinylogous acid
Enoate ester
Alpha,beta-unsaturated carboxylic ester
Secondary alcohol
Carboxylic acid ester
Oxacycle
Acetal
Ether
Organoheterocyclic compound
Carboxylic acid
Carboxylic acid derivative
Primary alcohol
Alcohol
Organic oxide
Organic oxygen compound
Organooxygen compound
Carbonyl group
Hydrocarbon derivative
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

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

100978775

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (2s,3s,4r,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid (NP0237585)

MOL for NP0237585 ((2s,3s,4r,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid)

3D MOL for NP0237585 ((2s,3s,4r,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid)

3D SDF for NP0237585 ((2s,3s,4r,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid)

3D-SDF for NP0237585 ((2s,3s,4r,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid)

PDB for NP0237585 ((2s,3s,4r,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid)

3D PDB for NP0237585 ((2s,3s,4r,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid)

SMILES for NP0237585 ((2s,3s,4r,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid)

INCHI for NP0237585 ((2s,3s,4r,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid)

Structure for NP0237585 ((2s,3s,4r,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid)

3D Structure for NP0237585 ((2s,3s,4r,5r,6s)-6-{[2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-7-methoxy-4-oxochromen-3-yl]oxy}-3-{[(2s,3r,4s,5s,6r)-3-{[(2e)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy}-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4,5-dihydroxyoxane-2-carboxylic acid)