NP-MRD: Showing NP-Card for (4as,5r,8ar)-5-{[(1s,4as,7s,8as)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione (NP0194679)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

2.0

Created at

2022-09-04 12:23:09 UTC

Updated at

2022-09-04 12:23:09 UTC

NP-MRD ID

NP0194679

Secondary Accession Numbers

None

Natural Product Identification

Common Name

(4as,5r,8ar)-5-{[(1s,4as,7s,8as)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione

Description

Dichrostachine N belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units. (4as,5r,8ar)-5-{[(1s,4as,7s,8as)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione is found in Dichrostachys cinerea. Based on a literature review very few articles have been published on Dichrostachine N.

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652309042214232D          

 47 52  0  0  1  0            999 V2000
    2.6640   -1.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5430   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3183   -2.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9503   -1.9262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4615   -3.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8295   -3.7993    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9728   -4.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480   -4.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3853   -5.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408   -5.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5656   -4.8599    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9336   -5.3902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4223   -4.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543   -3.5171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2508   -3.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110   -2.7047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0112   -2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2805   -2.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5520   -2.2631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2971   -3.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1045   -3.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5099   -3.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0619   -2.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8070   -1.8215    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3590   -1.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2214   -1.4080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1041   -0.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    0.1683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8391    1.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2971   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2549   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2805    0.1328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  1  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
    1.5751    0.8776    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
    3.1362    0.8264    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
    4.4389   -1.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2361   -1.1524    0.0000 C   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
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  1  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 24 33  1  0  0  0  0
 19 33  1  0  0  0  0
 33 34  1  6  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 42 45  1  0  0  0  0
 45 46  2  0  0  0  0
 38 46  1  0  0  0  0
 46 47  1  0  0  0  0
 34 47  1  0  0  0  0
M  END

     RDKit          3D

 89 94  0  0  0  0  0  0  0  0999 V2000
    2.6442   -2.9747    0.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5086   -1.7115    1.1418 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4153   -1.0767    2.1298 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9990   -1.7792    2.9982 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6754    0.3891    2.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0718    1.1361    1.0105 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.8801    2.3089    0.6068 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2116    3.6475    0.9702 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2184    2.3418    1.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1649    2.3875   -0.8684 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0004    2.0860   -1.7268 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.2916    3.2653   -2.0622 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9862    1.1236   -1.1637 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5955    0.2504   -0.1341 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.7330   -0.5641   -0.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5904   -0.7373    0.5098 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9760    0.0503    1.4860 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6348   -1.2085   -0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5184   -2.0614   -0.2912 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.0619   -2.1864   -1.7272 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5929   -1.3801   -2.8509 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9907   -3.1056   -1.9317 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3762   -3.8910   -0.7437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7415   -2.8935    0.3346 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.0687   -3.6919    1.5118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2607   -4.0051    1.7540 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0222   -4.1355    2.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9043   -5.4043    2.9382 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9014   -6.3707    2.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1486   -3.1344    2.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4181   -1.8352    2.0547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4217   -0.8286    2.7862 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6790   -1.8024    0.5559 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.3737   -0.5131    0.3227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3892   -0.1795    1.1964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0984    1.0069    1.0638 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0170    1.3106    1.8527 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7686    1.8553    0.0331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4194    3.0578   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4255    3.4718    0.6245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0048    3.8508   -1.2608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9972    3.4980   -2.1123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6245    4.3274   -3.1778 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2597    5.5526   -3.4229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3728    2.2987   -1.8736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7427    1.4655   -0.8094 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1211    0.3339   -0.6209 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3657   -3.6114    1.4955 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0336   -3.5025    0.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7923    0.4757    2.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2674    0.7415    3.1297 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1020    1.5711    1.4221 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7248    3.5168    1.9624 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4340    3.8137    0.2156 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9411    4.4542    1.0592 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6839    3.3232    0.9831 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9234    1.5781    0.9741 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1299    2.4579    2.4129 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0896    1.8270   -1.0698 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4540    3.4636   -1.0760 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4055    1.7331   -2.7222 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8464    3.8274   -2.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6041    0.5654   -2.0553 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1535    1.6852   -0.7392 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3488   -1.5975   -0.9328 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5993   -0.6356   -0.0332 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0163   -0.1907   -1.7388 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2461    0.5516    1.0599 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2210   -0.2558   -0.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2280   -1.6465   -1.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2510   -3.1567   -0.1060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4299   -1.7397   -3.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2301   -1.6268   -3.7544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6445   -0.3024   -2.7700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4377   -3.2623   -2.9274 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5834   -4.6040   -0.4287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3407   -4.4554   -0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6930   -2.3938   -0.0211 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9460   -6.5013    1.5889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8570   -5.9670    3.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5652   -7.2985    3.2187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3201   -3.2835    3.3405 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6829   -0.8169    2.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9183    3.1956    1.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5343    4.7966   -1.4052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2442    5.4100   -3.9149 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4329    6.1347   -2.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6627    6.2099   -4.0857 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5726    1.9708   -2.5119 H   0  0  0  0  0  0  0  0  0  0  0  0
 44 43  1  0
 43 42  1  0
 42 41  2  0
 41 39  1  0
 39 40  1  0
 39 38  2  0
 38 36  1  0
 36 37  2  0
 36 35  1  0
 35 34  2  0
 34 47  1  0
 47 46  1  0
 46 45  2  0
 33 34  1  6
 33 19  1  0
 19 18  1  0
 18 16  1  0
 16 17  1  1
 16  2  1  0
  2  1  2  3
  2  3  1  0
  3  4  2  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  7  9  1  0
  7 10  1  0
 10 11  1  0
 11 12  1  0
 11 13  1  0
 13 14  1  0
 14 15  1  6
 19 20  1  0
 20 21  1  0
 20 22  2  0
 22 23  1  0
 23 24  1  0
 24 25  1  0
 25 26  2  0
 25 27  1  0
 27 28  1  0
 28 29  1  0
 27 30  2  0
 30 31  1  0
 31 32  2  0
 45 42  1  0
 24 33  1  0
 46 38  1  0
 31 33  1  0
 14 16  1  0
 14  6  1  0
 44 86  1  0
 44 87  1  0
 44 88  1  0
 41 85  1  0
 40 84  1  0
 35 83  1  0
 45 89  1  0
 19 71  1  1
 18 69  1  0
 18 70  1  0
 17 68  1  0
  1 48  1  0
  1 49  1  0
  5 50  1  0
  5 51  1  0
  6 52  1  1
  8 53  1  0
  8 54  1  0
  8 55  1  0
  9 56  1  0
  9 57  1  0
  9 58  1  0
 10 59  1  0
 10 60  1  0
 11 61  1  6
 12 62  1  0
 13 63  1  0
 13 64  1  0
 15 65  1  0
 15 66  1  0
 15 67  1  0
 21 72  1  0
 21 73  1  0
 21 74  1  0
 22 75  1  0
 23 76  1  0
 23 77  1  0
 24 78  1  6
 29 79  1  0
 29 80  1  0
 29 81  1  0
 30 82  1  0
M  END


  Mrv1652309042214232D          

 47 52  0  0  1  0            999 V2000
    2.6640   -1.2237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5430   -2.1744    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3183   -2.4565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9503   -1.9262    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4615   -3.2690    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8295   -3.7993    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.9728   -4.6118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7480   -4.3296    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3853   -5.3262    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3408   -5.1421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5656   -4.8599    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.9336   -5.3902    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4223   -4.0474    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0543   -3.5171    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.2508   -3.2635    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110   -2.7047    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0112   -2.6674    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2805   -2.1169    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5520   -2.2631    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.2971   -3.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1045   -3.8814    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5099   -3.2192    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0619   -2.6061    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8070   -1.8215    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.3590   -1.2084    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2214   -1.4080    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1041   -0.4238    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7759    0.1683    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8391    1.0303    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2971   -0.2523    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2549   -0.8654    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2805    0.1328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -1.6500    0.0000 C   0  0  1  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
    1.5751    0.8776    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
    3.1362    0.8264    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
    4.4389   -1.4725    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.2361   -1.1524    0.0000 C   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
    2.1434   -1.2375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4289   -1.6500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  6  5  1  1  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  6  0  0  0
 11 13  1  0  0  0  0
 13 14  1  0  0  0  0
  6 14  1  0  0  0  0
 14 15  1  1  0  0  0
 14 16  1  0  0  0  0
  2 16  1  0  0  0  0
 16 17  1  6  0  0  0
 16 18  1  1  0  0  0
 19 18  1  6  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  2  0  0  0  0
 22 23  1  0  0  0  0
 24 23  1  1  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 28 29  1  0  0  0  0
 27 30  2  0  0  0  0
 30 31  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 24 33  1  0  0  0  0
 19 33  1  0  0  0  0
 33 34  1  6  0  0  0
 34 35  2  0  0  0  0
 35 36  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  2  0  0  0  0
 39 40  1  0  0  0  0
 39 41  1  0  0  0  0
 41 42  2  0  0  0  0
 42 43  1  0  0  0  0
 43 44  1  0  0  0  0
 42 45  1  0  0  0  0
 45 46  2  0  0  0  0
 38 46  1  0  0  0  0
 46 47  1  0  0  0  0
 34 47  1  0  0  0  0
M  END
> <DATABASE_ID>
NP0194679

> <DATABASE_NAME>
NP-MRD

> <SMILES>
COC1=CC(O)=C2C(=O)C=C(OC2=C1)[C@]12[C@H](C[C@@]3(O)C(=C)C(=O)C[C@H]4C(C)(C)C[C@H](O)C[C@]34C)C(C)=CC[C@H]1C(=O)C(OC)=CC2=O

> <INCHI_IDENTIFIER>
InChI=1S/C37H42O10/c1-18-8-9-22-33(43)28(46-7)14-30(42)37(22,31-13-26(41)32-25(40)10-21(45-6)11-27(32)47-31)23(18)17-36(44)19(2)24(39)12-29-34(3,4)15-20(38)16-35(29,36)5/h8,10-11,13-14,20,22-23,29,38,40,44H,2,9,12,15-17H2,1,3-7H3/t20-,22-,23+,29-,35-,36+,37-/m0/s1

> <INCHI_KEY>
FMZMUHWPKKFIMW-LDCCHIFSSA-N

> <FORMULA>
C37H42O10

> <MOLECULAR_WEIGHT>
646.733

> <EXACT_MASS>
646.277797552

> <JCHEM_ACCEPTOR_COUNT>
10

> <JCHEM_ATOM_COUNT>
89

> <JCHEM_AVERAGE_POLARIZABILITY>
67.33487914426894

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
3

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(4aS,5R,8aR)-5-{[(1S,4aS,7S,8aS)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-decahydronaphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxy-6-methyl-1,4,4a,5,8,8a-hexahydronaphthalene-1,4-dione

> <JCHEM_LOGP>
4.252565086999999

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
6

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA>
13.545996432680735

> <JCHEM_PKA_STRONGEST_ACIDIC>
7.376765068185119

> <JCHEM_PKA_STRONGEST_BASIC>
-2.702328276896381

> <JCHEM_POLAR_SURFACE_AREA>
156.65999999999997

> <JCHEM_REFRACTIVITY>
175.80059999999995

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <JCHEM_TRADITIONAL_IUPAC>
(4aS,5R,8aR)-5-{[(1S,4aS,7S,8aS)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4H-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5H-naphthalene-1,4-dione

> <JCHEM_VEBER_RULE>
0

$$$$

HEADER    PROTEIN                                 04-SEP-22   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   04-SEP-22         0                                  
HETATM    1  C   UNK     0       4.973  -2.284   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       4.747  -4.059   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       6.194  -4.586   0.000  0.00  0.00           C+0
HETATM    4  O   UNK     0       7.374  -3.596   0.000  0.00  0.00           O+0
HETATM    5  C   UNK     0       6.462  -6.102   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       5.282  -7.092   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       5.549  -8.609   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       6.996  -8.082   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0       6.319  -9.942   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0       4.370  -9.599   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       2.922  -9.072   0.000  0.00  0.00           C+0
HETATM   12  O   UNK     0       1.743 -10.062   0.000  0.00  0.00           O+0
HETATM   13  C   UNK     0       2.655  -7.555   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0       3.835  -6.565   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0       2.335  -6.092   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       3.567  -5.049   0.000  0.00  0.00           C+0
HETATM   17  O   UNK     0       1.887  -4.979   0.000  0.00  0.00           O+0
HETATM   18  C   UNK     0       2.390  -3.952   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       1.030  -4.224   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       0.555  -5.689   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -0.195  -7.245   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -0.952  -6.009   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -1.982  -4.865   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0      -1.506  -3.400   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0      -2.537  -2.256   0.000  0.00  0.00           C+0
HETATM   26  O   UNK     0      -4.147  -2.628   0.000  0.00  0.00           O+0
HETATM   27  C   UNK     0      -2.061  -0.791   0.000  0.00  0.00           C+0
HETATM   28  O   UNK     0      -3.315   0.314   0.000  0.00  0.00           O+0
HETATM   29  C   UNK     0      -3.433   1.923   0.000  0.00  0.00           C+0
HETATM   30  C   UNK     0      -0.555  -0.471   0.000  0.00  0.00           C+0
HETATM   31  C   UNK     0       0.476  -1.615   0.000  0.00  0.00           C+0
HETATM   32  O   UNK     0       0.524   0.248   0.000  0.00  0.00           O+0
HETATM   33  C   UNK     0       0.000  -3.080   0.000  0.00  0.00           C+0
HETATM   34  C   UNK     0       1.334  -2.310   0.000  0.00  0.00           C+0
HETATM   35  C   UNK     0       1.334  -0.770   0.000  0.00  0.00           C+0
HETATM   36  C   UNK     0       2.667   0.000   0.000  0.00  0.00           C+0
HETATM   37  O   UNK     0       2.940   1.638   0.000  0.00  0.00           O+0
HETATM   38  C   UNK     0       4.001  -0.770   0.000  0.00  0.00           C+0
HETATM   39  C   UNK     0       5.335   0.000   0.000  0.00  0.00           C+0
HETATM   40  O   UNK     0       5.854   1.543   0.000  0.00  0.00           O+0
HETATM   41  C   UNK     0       6.668  -0.770   0.000  0.00  0.00           C+0
HETATM   42  C   UNK     0       6.668  -2.310   0.000  0.00  0.00           C+0
HETATM   43  O   UNK     0       8.286  -2.749   0.000  0.00  0.00           O+0
HETATM   44  C   UNK     0       9.774  -2.151   0.000  0.00  0.00           C+0
HETATM   45  C   UNK     0       5.335  -3.080   0.000  0.00  0.00           C+0
HETATM   46  C   UNK     0       4.001  -2.310   0.000  0.00  0.00           C+0
HETATM   47  O   UNK     0       2.667  -3.080   0.000  0.00  0.00           O+0
CONECT    1    2                                                            
CONECT    2    1    3   16                                                  
CONECT    3    2    4    5                                                  
CONECT    4    3                                                            
CONECT    5    3    6                                                       
CONECT    6    5    7   14                                                  
CONECT    7    6    8    9   10                                             
CONECT    8    7                                                            
CONECT    9    7                                                            
CONECT   10    7   11                                                       
CONECT   11   10   12   13                                                  
CONECT   12   11                                                            
CONECT   13   11   14                                                       
CONECT   14   13    6   15   16                                             
CONECT   15   14                                                            
CONECT   16   14    2   17   18                                             
CONECT   17   16                                                            
CONECT   18   16   19                                                       
CONECT   19   18   20   33                                                  
CONECT   20   19   21   22                                                  
CONECT   21   20                                                            
CONECT   22   20   23                                                       
CONECT   23   22   24                                                       
CONECT   24   23   25   33                                                  
CONECT   25   24   26   27                                                  
CONECT   26   25                                                            
CONECT   27   25   28   30                                                  
CONECT   28   27   29                                                       
CONECT   29   28                                                            
CONECT   30   27   31                                                       
CONECT   31   30   32   33                                                  
CONECT   32   31                                                            
CONECT   33   31   24   19   34                                             
CONECT   34   33   35   47                                                  
CONECT   35   34   36                                                       
CONECT   36   35   37   38                                                  
CONECT   37   36                                                            
CONECT   38   36   39   46                                                  
CONECT   39   38   40   41                                                  
CONECT   40   39                                                            
CONECT   41   39   42                                                       
CONECT   42   41   43   45                                                  
CONECT   43   42   44                                                       
CONECT   44   43                                                            
CONECT   45   42   46                                                       
CONECT   46   45   38   47                                                  
CONECT   47   46   34                                                       
MASTER        0    0    0    0    0    0    0    0   47    0  104    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₃₇H₄₂O₁₀

Average Mass

646.7330 Da

Monoisotopic Mass

646.27780 Da

IUPAC Name

(4aS,5R,8aR)-5-{[(1S,4aS,7S,8aS)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-decahydronaphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxo-4H-chromen-2-yl)-2-methoxy-6-methyl-1,4,4a,5,8,8a-hexahydronaphthalene-1,4-dione

Traditional Name

(4aS,5R,8aR)-5-{[(1S,4aS,7S,8aS)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4H-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5H-naphthalene-1,4-dione

CAS Registry Number

Not Available

SMILES

COC1=CC(O)=C2C(=O)C=C(OC2=C1)[C@]12[C@H](C[C@@]3(O)C(=C)C(=O)C[C@H]4C(C)(C)C[C@H](O)C[C@]34C)C(C)=CC[C@H]1C(=O)C(OC)=CC2=O

InChI Identifier

InChI=1S/C37H42O10/c1-18-8-9-22-33(43)28(46-7)14-30(42)37(22,31-13-26(41)32-25(40)10-21(45-6)11-27(32)47-31)23(18)17-36(44)19(2)24(39)12-29-34(3,4)15-20(38)16-35(29,36)5/h8,10-11,13-14,20,22-23,29,38,40,44H,2,9,12,15-17H2,1,3-7H3/t20-,22-,23+,29-,35-,36+,37-/m0/s1

InChI Key

FMZMUHWPKKFIMW-LDCCHIFSSA-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
Dichrostachys cinerea	LOTUS Database	35616633

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as diterpenoids. These are terpene compounds formed by four isoprene units.

Kingdom

Organic compounds

Super Class

Lipids and lipid-like molecules

Class

Prenol lipids

Sub Class

Diterpenoids

Direct Parent

Diterpenoids

Alternative Parents

Substituents

Diterpenoid
Labdane diterpenoid
Chromone
1-benzopyran
Benzopyran
Anisole
Pyranone
1-hydroxy-4-unsubstituted benzenoid
1-hydroxy-2-unsubstituted benzenoid
Alkyl aryl ether
Cyclohexenone
Benzenoid
Pyran
Tertiary alcohol
Vinylogous acid
Vinylogous ester
Cyclic alcohol
Heteroaromatic compound
Cyclic ketone
Secondary alcohol
Ketone
Organoheterocyclic compound
Oxacycle
Ether
Organic oxygen compound
Alcohol
Carbonyl group
Hydrocarbon derivative
Organic oxide
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	4.25	ChemAxon
pKa (Strongest Acidic)	7.38	ChemAxon
pKa (Strongest Basic)	-2.7	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	10	ChemAxon
Hydrogen Donor Count	3	ChemAxon
Polar Surface Area	156.66 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	175.8 m³·mol⁻¹	ChemAxon
Polarizability	67.33 Å³	ChemAxon
Number of Rings	6	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	No	ChemAxon
MDDR-like Rule	No	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

24650539

KEGG Compound ID

Not Available

BioCyc ID

Not Available

BiGG ID

Not Available

Wikipedia Link

Not Available

METLIN ID

Not Available

PubChem Compound

44557284

PDB ID

Not Available

ChEBI ID

Not Available

Good Scents ID

Not Available

References

General References

LOTUS database [Link]

Showing NP-Card for (4as,5r,8ar)-5-{[(1s,4as,7s,8as)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione (NP0194679)

MOL for NP0194679 ((4as,5r,8ar)-5-{[(1s,4as,7s,8as)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione)

3D MOL for NP0194679 ((4as,5r,8ar)-5-{[(1s,4as,7s,8as)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione)

3D SDF for NP0194679 ((4as,5r,8ar)-5-{[(1s,4as,7s,8as)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione)

3D-SDF for NP0194679 ((4as,5r,8ar)-5-{[(1s,4as,7s,8as)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione)

PDB for NP0194679 ((4as,5r,8ar)-5-{[(1s,4as,7s,8as)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione)

3D PDB for NP0194679 ((4as,5r,8ar)-5-{[(1s,4as,7s,8as)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione)

SMILES for NP0194679 ((4as,5r,8ar)-5-{[(1s,4as,7s,8as)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione)

INCHI for NP0194679 ((4as,5r,8ar)-5-{[(1s,4as,7s,8as)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione)

Structure for NP0194679 ((4as,5r,8ar)-5-{[(1s,4as,7s,8as)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione)

3D Structure for NP0194679 ((4as,5r,8ar)-5-{[(1s,4as,7s,8as)-1,7-dihydroxy-5,5,8a-trimethyl-2-methylidene-3-oxo-tetrahydro-4h-naphthalen-1-yl]methyl}-4a-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)-2-methoxy-6-methyl-8,8a-dihydro-5h-naphthalene-1,4-dione)