NP-MRD: Showing NP-Card for [6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (NP0222255)

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Record Information

Version

2.0

Created at

2022-09-06 00:02:55 UTC

Updated at

2022-09-06 00:02:55 UTC

NP-MRD ID

NP0222255

Secondary Accession Numbers

None

Natural Product Identification

Common Name

[6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Description

[6-({4,5-Dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate belongs to the class of organic compounds known as isoflavonoid c-glycosides. These are c-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one. [6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is found in Ziziphus jujuba. [6-({4,5-Dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate is an extremely weak basic (essentially neutral) compound (based on its pKa).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1533004171516262D          

 56 61  0  0  0  0            999 V2000
    7.8592  -10.3125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1447   -9.9000    0.0000 O   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
    6.4302   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4302   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7158   -6.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0013   -6.1875    0.0000 C   0  0  0  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
    5.0013   -5.3625    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.9500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5724   -2.8875    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   -2.8875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1434   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -4.1250    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -4.9500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -3.7125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -4.1250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7145   -3.7125    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7145   -2.8875    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -2.4750    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
    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
   -0.7145   -1.2375    0.0000 C   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
    1.4289    0.8250    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    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
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    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
    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
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    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
    5.0013   -2.8875    0.0000 C   0  0  0  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
    5.0013   -3.7125    0.0000 C   0  0  0  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
    7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.0750    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
  6  5  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 16 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
 27 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 26 39  1  0  0  0  0
 33 39  2  0  0  0  0
 36 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  2  0  0  0  0
 40 46  1  0  0  0  0
 14 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 12 51  1  0  0  0  0
 51 52  1  0  0  0  0
  5 53  2  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
  3 55  1  0  0  0  0
 55 56  1  0  0  0  0
M  END

     RDKit          3D

 96101  0  0  0  0  0  0  0  0999 V2000
   10.1654    0.4594    2.2133 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3033    1.7301    1.4509 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5325    1.7416    0.2499 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9857    0.5778   -0.2568 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1666    0.5861   -1.3722 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7470   -0.5428   -2.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7089   -1.0522   -2.4652 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3162   -0.7456   -2.1451 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9043    0.1770   -0.8893 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1333   -0.4881   -1.8772 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1726    0.0152   -0.9683 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8865   -0.5504   -1.6122 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.7658   -0.5164   -0.9415 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6531   -1.3283    0.1885 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.6124   -1.6940    0.4637 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4114   -1.0100    1.3359 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.8046   -1.3831    1.0122 C   0  0  2  0  0  0  0  0  0  0  0  0
   -3.5010   -0.5250    0.0622 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3272   -0.7126   -1.3305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0983   -1.4894   -1.5131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6563   -1.1840   -2.8794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0659   -0.2591   -2.2872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1776    0.5401   -1.9753 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0355    1.0618   -2.9226 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3743    0.7839   -0.6633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3291    1.7537   -0.3209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0469    2.2827   -1.2465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4844    2.1729    1.0223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2051    3.5424    1.1090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3217    4.5381    0.6806 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8722    5.7451    0.0909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2323    5.7852    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8139    6.9683   -0.5828 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0457    4.8522    0.4604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5115    3.6550    1.0227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7404    1.6137    1.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8100    0.7106    1.5719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5971    0.3198    0.3938 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5833   -1.3230    2.2465 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4422   -2.4252    2.9991 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.2397   -3.6360    2.4785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0861   -4.6807    3.4673 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9309   -2.7150    3.0733 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.5927   -3.7306    2.1655 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1943   -1.4730    2.8009 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6927   -0.4722    3.6364 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.5484   -2.5545    0.1530 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.8600   -3.5908    0.7522 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0095   -3.0214   -1.1831 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.3303   -3.5356   -1.0220 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0837   -1.9348   -2.2428 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2416   -2.0049   -3.0007 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9321    1.8612   -1.9389 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4707    3.0219   -1.4537 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2839    2.9411   -0.3418 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8403    4.0635    0.1790 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.4854   -0.3443    1.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9793    0.5491    2.4701 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6117    0.6442    3.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2160   -0.3659    0.1627 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7339   -1.1714   -2.4122 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7261   -1.8923   -3.2696 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3957   -0.3226    0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9798    1.0680   -0.9350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7984    0.1717   -2.5017 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0013   -0.6458    0.9808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1347    0.0375    1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8664   -2.4502    0.7132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3134    0.0270   -2.4808 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7115   -1.5198   -3.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3438   -0.9155   -3.5851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0210   -0.4644   -3.3622 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9938    0.8250   -3.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2904    4.4968    0.7488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2651    6.5980   -0.2165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8102    6.8081   -1.6595 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1268    4.9948    0.4648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1386    2.8673    1.4257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8783    1.8662    3.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7799   -2.2215    4.0022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8954   -4.0085    1.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2776   -3.3129    2.4702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7750   -5.3208    3.3403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6617   -3.0468    4.0755 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9493   -4.5645    2.4752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1237   -1.5965    2.9908 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1982   -0.3598    4.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
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    1.1161   -4.4647    0.3161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3325   -3.8048   -1.6144 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2822   -4.4949   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2720   -2.1025   -2.9555 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6046   -2.9610   -2.9628 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2453    1.8434   -2.7803 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1757    3.9666   -1.8547 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9427    5.0190   -0.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  1  0
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 53 94  1  0
 54 95  1  0
 56 96  1  0
M  END


  Mrv1533004171516262D          

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    0.0000   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    1.4289    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289    0.8250    0.0000 O   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 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579    0.8250    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
    3.5724   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8579   -1.6500    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
    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
    5.0013   -0.4125    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2868   -2.4750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.0013   -2.8875    0.0000 C   0  0  0  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
    5.0013   -3.7125    0.0000 C   0  0  0  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
    7.1447   -7.4250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -7.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8592   -8.6625    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5737   -9.0750    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
  6  5  1  4  0  0  0
  6  7  2  0  0  0  0
  7  8  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
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 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 21 24  1  0  0  0  0
 24 25  1  0  0  0  0
 16 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
 27 30  1  0  0  0  0
 30 31  2  0  0  0  0
 31 32  1  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  2  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 26 39  1  0  0  0  0
 33 39  2  0  0  0  0
 36 40  1  0  0  0  0
 40 41  2  0  0  0  0
 41 42  1  0  0  0  0
 42 43  2  0  0  0  0
 43 44  1  0  0  0  0
 43 45  1  0  0  0  0
 45 46  2  0  0  0  0
 40 46  1  0  0  0  0
 14 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  1  0  0  0  0
 49 50  1  0  0  0  0
 49 51  1  0  0  0  0
 12 51  1  0  0  0  0
 51 52  1  0  0  0  0
  5 53  2  0  0  0  0
 53 54  1  0  0  0  0
 54 55  2  0  0  0  0
  3 55  1  0  0  0  0
 55 56  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0222255

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(C=CC(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(OC)C=C(O)C4=C3OC=C(C4=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC=C1O

> <INCHI_IDENTIFIER>
InChI=1S/C38H40O18/c1-50-22-11-16(3-9-20(22)41)4-10-26(43)52-15-25-31(46)32(47)34(49)38(55-25)56-37-33(48)30(45)24(13-39)54-36(37)28-23(51-2)12-21(42)27-29(44)19(14-53-35(27)28)17-5-7-18(40)8-6-17/h3-12,14,24-25,30-34,36-42,45-49H,13,15H2,1-2H3

> <INCHI_KEY>
VNOJCFWOJRRJLZ-UHFFFAOYSA-N

> <FORMULA>
C38H40O18

> <MOLECULAR_WEIGHT>
784.72

> <EXACT_MASS>
784.221464448

> <JCHEM_ACCEPTOR_COUNT>
17

> <JCHEM_ATOM_COUNT>
96

> <JCHEM_AVERAGE_POLARIZABILITY>
78.15964567302242

> <JCHEM_BIOAVAILABILITY>
0

> <JCHEM_DONOR_COUNT>
9

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
[6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

> <ALOGPS_LOGP>
1.38

> <JCHEM_LOGP>
1.2672640256666674

> <ALOGPS_LOGS>
-3.31

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
8.921727963152156

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.263903043708148

> <JCHEM_PKA_STRONGEST_BASIC>
-3.6450256120692606

> <JCHEM_POLAR_SURFACE_AREA>
280.82

> <JCHEM_REFRACTIVITY>
189.7086

> <JCHEM_ROTATABLE_BOND_COUNT>
12

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
3.88e-01 g/l

> <JCHEM_TRADITIONAL_IUPAC>
[6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 17-APR-15   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   17-APR-15         0                                  
HETATM    1  C   UNK     0      14.670 -19.250   0.000  0.00  0.00           C+0
HETATM    2  O   UNK     0      13.337 -18.480   0.000  0.00  0.00           O+0
HETATM    3  C   UNK     0      13.337 -16.940   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0      12.003 -16.170   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      12.003 -14.630   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0      10.669 -13.860   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0      10.669 -12.320   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       9.336 -11.550   0.000  0.00  0.00           C+0
HETATM    9  O   UNK     0       8.002 -12.320   0.000  0.00  0.00           O+0
HETATM   10  O   UNK     0       9.336 -10.010   0.000  0.00  0.00           O+0
HETATM   11  C   UNK     0       8.002  -9.240   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       8.002  -7.700   0.000  0.00  0.00           C+0
HETATM   13  O   UNK     0       6.668  -6.930   0.000  0.00  0.00           O+0
HETATM   14  C   UNK     0       6.668  -5.390   0.000  0.00  0.00           C+0
HETATM   15  O   UNK     0       5.335  -4.620   0.000  0.00  0.00           O+0
HETATM   16  C   UNK     0       4.001  -5.390   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0       4.001  -6.930   0.000  0.00  0.00           C+0
HETATM   18  O   UNK     0       5.335  -7.700   0.000  0.00  0.00           O+0
HETATM   19  C   UNK     0       2.667  -7.700   0.000  0.00  0.00           C+0
HETATM   20  O   UNK     0       2.667  -9.240   0.000  0.00  0.00           O+0
HETATM   21  C   UNK     0       1.334  -6.930   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0       0.000  -7.700   0.000  0.00  0.00           C+0
HETATM   23  O   UNK     0      -1.334  -6.930   0.000  0.00  0.00           O+0
HETATM   24  O   UNK     0       1.334  -5.390   0.000  0.00  0.00           O+0
HETATM   25  C   UNK     0       2.667  -4.620   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0       2.667  -3.080   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0       0.000  -3.080   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       2.667   1.540   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   35  O   UNK     0       5.335   1.540   0.000  0.00  0.00           O+0
HETATM   36  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   37  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   38  O   UNK     0       5.335  -3.080   0.000  0.00  0.00           O+0
HETATM   39  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   40  C   UNK     0       8.002  -0.000   0.000  0.00  0.00           C+0
HETATM   41  C   UNK     0       8.002   1.540   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       9.336   2.310   0.000  0.00  0.00           C+0
HETATM   43  C   UNK     0      10.669   1.540   0.000  0.00  0.00           C+0
HETATM   44  O   UNK     0      12.003   2.310   0.000  0.00  0.00           O+0
HETATM   45  C   UNK     0      10.669  -0.000   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       9.336  -0.770   0.000  0.00  0.00           C+0
HETATM   47  C   UNK     0       8.002  -4.620   0.000  0.00  0.00           C+0
HETATM   48  O   UNK     0       8.002  -3.080   0.000  0.00  0.00           O+0
HETATM   49  C   UNK     0       9.336  -5.390   0.000  0.00  0.00           C+0
HETATM   50  O   UNK     0      10.669  -4.620   0.000  0.00  0.00           O+0
HETATM   51  C   UNK     0       9.336  -6.930   0.000  0.00  0.00           C+0
HETATM   52  O   UNK     0      10.669  -7.700   0.000  0.00  0.00           O+0
HETATM   53  C   UNK     0      13.337 -13.860   0.000  0.00  0.00           C+0
HETATM   54  C   UNK     0      14.670 -14.630   0.000  0.00  0.00           C+0
HETATM   55  C   UNK     0      14.670 -16.170   0.000  0.00  0.00           C+0
HETATM   56  O   UNK     0      16.004 -16.940   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3                                                       
CONECT    3    2    4   55                                                  
CONECT    4    3    5                                                       
CONECT    5    4    6   53                                                  
CONECT    6    5    7                                                       
CONECT    7    6    8                                                       
CONECT    8    7    9   10                                                  
CONECT    9    8                                                            
CONECT   10    8   11                                                       
CONECT   11   10   12                                                       
CONECT   12   11   13   51                                                  
CONECT   13   12   14                                                       
CONECT   14   13   15   47                                                  
CONECT   15   14   16                                                       
CONECT   16   15   17   25                                                  
CONECT   17   16   18   19                                                  
CONECT   18   17                                                            
CONECT   19   17   20   21                                                  
CONECT   20   19                                                            
CONECT   21   19   22   24                                                  
CONECT   22   21   23                                                       
CONECT   23   22                                                            
CONECT   24   21   25                                                       
CONECT   25   24   16   26                                                  
CONECT   26   25   27   39                                                  
CONECT   27   26   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   34   39                                                  
CONECT   34   33   35   36                                                  
CONECT   35   34                                                            
CONECT   36   34   37   40                                                  
CONECT   37   36   38                                                       
CONECT   38   37   39                                                       
CONECT   39   38   26   33                                                  
CONECT   40   36   41   46                                                  
CONECT   41   40   42                                                       
CONECT   42   41   43                                                       
CONECT   43   42   44   45                                                  
CONECT   44   43                                                            
CONECT   45   43   46                                                       
CONECT   46   45   40                                                       
CONECT   47   14   48   49                                                  
CONECT   48   47                                                            
CONECT   49   47   50   51                                                  
CONECT   50   49                                                            
CONECT   51   49   12   52                                                  
CONECT   52   51                                                            
CONECT   53    5   54                                                       
CONECT   54   53   55                                                       
CONECT   55   54    3   56                                                  
CONECT   56   55                                                            
MASTER        0    0    0    0    0    0    0    0   56    0  122    0
END

View in JSmol

Synonyms

Value	Source
[6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoic acid	Generator

Chemical Formula

C₃₈H₄₀O₁₈

Average Mass

784.7200 Da

Monoisotopic Mass

784.22146 Da

IUPAC Name

[6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxo-4H-chromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

Traditional Name

[6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate

CAS Registry Number

Not Available

SMILES

COC1=CC(C=CC(=O)OCC2OC(OC3C(O)C(O)C(CO)OC3C3=C(OC)C=C(O)C4=C3OC=C(C4=O)C3=CC=C(O)C=C3)C(O)C(O)C2O)=CC=C1O

InChI Identifier

InChI=1S/C38H40O18/c1-50-22-11-16(3-9-20(22)41)4-10-26(43)52-15-25-31(46)32(47)34(49)38(55-25)56-37-33(48)30(45)24(13-39)54-36(37)28-23(51-2)12-21(42)27-29(44)19(14-53-35(27)28)17-5-7-18(40)8-6-17/h3-12,14,24-25,30-34,36-42,45-49H,13,15H2,1-2H3

InChI Key

VNOJCFWOJRRJLZ-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
Ziziphus jujuba	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as isoflavonoid c-glycosides. These are c-glycosylated derivatives of isoflavonoids, which are natural products derived from 3-phenylchromen-4-one.

Kingdom

Organic compounds

Super Class

Phenylpropanoids and polyketides

Class

Isoflavonoids

Sub Class

Isoflavonoid C-glycosides

Direct Parent

Isoflavonoid C-glycosides

Alternative Parents

Substituents

Isoflavonoid c-glycoside
Isoflavonoid-8-c-glycoside
7-o-methylisoflavone
Isoflavone
Hydroxyisoflavonoid
Phenolic glycoside
Hydroxycinnamic acid or derivatives
Cinnamic acid ester
Coumaric acid or derivatives
Cinnamic acid or derivatives
O-glycosyl compound
Glycosyl compound
Disaccharide
C-glycosyl compound
Chromone
Methoxyphenol
Benzopyran
1-benzopyran
Styrene
Methoxybenzene
Phenol ether
Anisole
Phenoxy compound
Pyranone
Fatty acid ester
1-hydroxy-2-unsubstituted benzenoid
Phenol
Alkyl aryl ether
Pyran
Oxane
Monocyclic benzene moiety
Fatty acyl
Benzenoid
Heteroaromatic compound
Vinylogous acid
Alpha,beta-unsaturated carboxylic ester
Enoate ester
Secondary alcohol
Carboxylic acid ester
Ether
Dialkyl ether
Monocarboxylic acid or derivatives
Polyol
Acetal
Carboxylic acid derivative
Oxacycle
Organoheterocyclic compound
Organic oxide
Carbonyl group
Organic oxygen compound
Hydrocarbon derivative
Primary alcohol
Alcohol
Organooxygen compound
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	1.38	ALOGPS
logP	1.27	ChemAxon
logS	-3.3	ALOGPS
pKa (Strongest Acidic)	7.26	ChemAxon
pKa (Strongest Basic)	-3.6	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	17	ChemAxon
Hydrogen Donor Count	9	ChemAxon
Polar Surface Area	280.82 Å²	ChemAxon
Rotatable Bond Count	12	ChemAxon
Refractivity	189.71 m³·mol⁻¹	ChemAxon
Polarizability	78.16 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	No	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	Yes	ChemAxon

External Links

HMDB ID

Not Available

DrugBank ID

Not Available

Phenol Explorer Compound ID

Not Available

FoodDB ID

Not Available

KNApSAcK ID

Not Available

Chemspider ID

Not Available

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

Not Available

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for [6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate (NP0222255)

MOL for NP0222255 ([6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

3D MOL for NP0222255 ([6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

3D SDF for NP0222255 ([6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

3D-SDF for NP0222255 ([6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

PDB for NP0222255 ([6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

3D PDB for NP0222255 ([6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

SMILES for NP0222255 ([6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

INCHI for NP0222255 ([6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

Structure for NP0222255 ([6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)

3D Structure for NP0222255 ([6-({4,5-dihydroxy-2-[5-hydroxy-3-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-8-yl]-6-(hydroxymethyl)oxan-3-yl}oxy)-3,4,5-trihydroxyoxan-2-yl]methyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate)