NP-MRD: Showing NP-Card for Campesterol (NP0044236)

Jump To Section:

Identification Spectra BioTaxonomy ChemoTaxonomy Physical properties Links References XML

Record Information

Version

1.0

Created at

2022-02-14 20:32:31 UTC

Updated at

2022-03-10 22:18:44 UTC

NP-MRD ID

NP0044236

Secondary Accession Numbers

None

Natural Product Identification

Common Name

Campesterol

Description

Campesterol belongs to the class of organic compounds known as ergosterols which are steroids containing ergosta-5,7,22-trien-3beta-ol on the 3-beta-hydroxylated ergostane skeleton. Thus, campesterol is a sterol lipid which is very hydrophobic, practically insoluble in water, and relatively neutral. Campesterol is a phytosterol, meaning it is a steroid derived from plants. Campesterol is found in highest concentrations in canola, corn and rapeseed and in a lower concentrations in banana, pomegranate, pepper, coffee, grapefruit, cucumber, onion, oat, potato, and lemon grass, making campesterol a potential biomarker for the consumption of these foods. Campesterol is also found in cannabis plants (PMID:6991645 ). As a food additive, phytosterols have cholesterol-lowering properties, by reducing cholesterol absorption in intestines. Many margarines, butters, breakfast cereals and spreads are now enriched with phytosterols. These products are marketed towards people with high cholesterol, wanting to lower it though diet. And may act in cancer prevention. Phytosterols occur in small amounts in vegetable oils, especially soybean oil. One such phytosterol complex, isolated from vegetable oil, is cholestatin, composed of campesterol, stigmasterol, and brassicasterol, and is marketed as a dietary supplement. Sterols reduced cholesterol in human subjects by up to 15% (PMID: 12911045 ) By inhibiting the incorporation of cholesterol into micelles in the gastrointestinal tract, decreasing the overall amount of cholesterol absorbed. This helps to control the body‚Äö√Ñ√¥s total cholesterol levels, as well as modify HDL, LDL and TAG levels. It is also thought that phytosterols may contribute to the Transintestinal Cholesterol Excretion (TICE) pathway and may alter the conversion of bile acids into secondary bile acids, all pathways reducing cholesterol levels (PMID: 31438826 ).

Structure

MOL 3D MOL SDF PDB SMILES InChI


  Mrv1652306242018332D          

 36 39  0  0  1  0            999 V2000
    6.0409   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264   -1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6119    0.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685   -1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685   -2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6135   -1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7177   -0.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9107    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678    0.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8608    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4825   -2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0616   -1.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6755   -2.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7454   -1.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7796   -1.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6119   -0.6271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4685   -1.0396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9726   -0.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0345   -1.8203    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3586   -0.5211    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7540   -0.6271    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4483   -0.3495    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6136   -1.3057    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4206   -1.4772    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0004   -0.9626    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8415   -1.9918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974   -0.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830   -1.4521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5865   -1.2072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1037    0.2636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4459   -0.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1934   -1.1341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1656   -0.6926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 18  1  1  0  0  0  0
 18  2  1  0  0  0  0
 19  3  1  1  0  0  0
 19  7  1  0  0  0  0
 19 18  1  0  0  0  0
 20  4  1  1  0  0  0
 20  8  1  0  0  0  0
 21  9  2  0  0  0  0
 21 17  1  0  0  0  0
 22 13  1  0  0  0  0
 22 17  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 24 20  1  1  0  0  0
 25 12  1  0  0  0  0
 25 23  1  0  0  0  0
 26 14  1  0  0  0  0
 26 23  1  0  0  0  0
 27  5  1  6  0  0  0
 27 15  1  0  0  0  0
 27 21  1  0  0  0  0
 27 26  1  0  0  0  0
 28  6  1  6  0  0  0
 28 16  1  0  0  0  0
 28 24  1  0  0  0  0
 28 25  1  0  0  0  0
 22 29  1  6  0  0  0
 19 30  1  6  0  0  0
 20 31  1  6  0  0  0
 22 32  1  1  0  0  0
 23 33  1  6  0  0  0
 24 34  1  6  0  0  0
 25 35  1  6  0  0  0
 26 36  1  6  0  0  0
M  END

     RDKit          3D

 77 80  0  0  0  0  0  0  0  0999 V2000
    6.8654    2.4431    1.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1183    1.6014    0.0738 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.5598    2.5543   -0.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9406    0.8917    0.7089 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.4629    0.0050    1.8113 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1544    0.1259   -0.3249 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9507   -0.5677    0.2768 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1709   -1.3313   -0.7682 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.1495   -2.3630   -1.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9998   -2.0350   -0.2321 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.3157   -2.8067   -1.3875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0159   -3.2161   -0.7817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3307   -2.1772    0.2496 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.6158   -1.5202   -0.0798 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.9557   -1.3671   -1.5173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7613   -0.1435   -1.8253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2994    0.6409   -0.9089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0748    1.8239   -1.3805 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2939    2.8455   -0.3148 C   0  0  1  0  0  0  0  0  0  0  0  0
   -6.3981    3.6227   -0.6516 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5732    2.2225    1.0383 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3463    1.4781    1.4492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1127    0.3158    0.5159 C   0  0  1  0  0  0  0  0  0  0  0  0
   -5.0816   -0.7869    0.9589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7215   -0.2358    0.7090 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.6238    0.7112    0.4253 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3941    0.0921   -0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1273   -1.2433    0.3610 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1440   -1.0654    1.8359 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4226    3.2352    0.4765 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6625    1.8845    1.6027 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2034    3.0169    1.7439 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8271    0.8839   -0.3838 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3254    2.0090   -1.9065 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738    3.3773   -1.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6329    3.0187   -0.5512 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3245    1.6777    1.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9881   -0.8804    1.4588 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1949    0.6203    2.3879 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6529   -0.2353    2.5618 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7811    0.8686   -1.0618 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8285   -0.5475   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2912   -1.3829    0.9946 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4103    0.1268    0.8919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9513   -0.6819   -1.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4794   -2.1477   -2.3491 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0989   -2.4145   -0.7131 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7557   -3.4115   -1.2213 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3470   -2.8209    0.4671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1943   -2.2072   -2.2803 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8322   -3.7511   -1.6225 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9439   -4.2559   -0.3414 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7622   -3.3111   -1.5852 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4746   -2.7339    1.2233 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4408   -2.1711    0.3570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6001   -2.2220   -1.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0523   -1.4228   -2.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9008    0.0974   -2.8711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0033    1.4730   -1.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4238    2.3070   -2.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3899    3.5028   -0.1954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9826    3.0924   -1.2397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7768    3.0445    1.7530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4817    1.6189    0.9691 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4945    2.1765    1.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4950    1.0686    2.4612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6558   -1.3829    1.7926 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0299   -0.3518    1.3325 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3356   -1.4524    0.1305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6954   -0.5436    1.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9702    1.5174   -0.2538 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3349    1.2507    1.3756 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5182    0.1519   -1.2972 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4202    0.8009    0.0362 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6455   -1.5237    2.4745 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1431   -1.5049    2.0612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2604    0.0210    2.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
  4  5  1  0
  4  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  0
  8 10  1  0
 10 11  1  0
 11 12  1  0
 12 13  1  0
 13 14  1  0
 14 15  1  0
 15 16  1  0
 16 17  2  0
 17 18  1  0
 18 19  1  0
 19 20  1  0
 19 21  1  0
 21 22  1  0
 22 23  1  0
 23 24  1  1
 23 25  1  0
 25 26  1  0
 26 27  1  0
 27 28  1  0
 28 29  1  1
  4  2  1  0
  2  1  1  0
  2  3  1  0
 28 10  1  0
 28 13  1  0
 25 14  1  0
 23 17  1  0
  4 37  1  1
  5 38  1  0
  5 39  1  0
  5 40  1  0
  6 41  1  0
  6 42  1  0
  7 43  1  0
  7 44  1  0
  8 45  1  6
  9 46  1  0
  9 47  1  0
  9 48  1  0
 10 49  1  1
 11 50  1  0
 11 51  1  0
 12 52  1  0
 12 53  1  0
 13 54  1  1
 14 55  1  1
 15 56  1  0
 15 57  1  0
 16 58  1  0
 18 59  1  0
 18 60  1  0
 19 61  1  1
 20 62  1  0
 21 63  1  0
 21 64  1  0
 22 65  1  0
 22 66  1  0
 24 67  1  0
 24 68  1  0
 24 69  1  0
 25 70  1  1
 26 71  1  0
 26 72  1  0
 27 73  1  0
 27 74  1  0
 29 75  1  0
 29 76  1  0
 29 77  1  0
  2 33  1  6
  1 30  1  0
  1 31  1  0
  1 32  1  0
  3 34  1  0
  3 35  1  0
  3 36  1  0
M  END


  Mrv1652306242018332D          

 36 39  0  0  1  0            999 V2000
    6.0409   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264   -1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6119    0.1979    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4685   -1.8646    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8685   -2.0903    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6135   -1.5147    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830   -0.6271    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7177   -0.0795    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9107    0.0920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6678    0.1934    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8608    0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4825   -2.4333    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0616   -1.9188    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6755   -2.2618    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7454   -1.7472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7796   -1.0356    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3264   -1.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6119   -0.6271    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.4685   -1.0396    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.9726   -0.8641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0345   -1.8203    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.3586   -0.5211    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7540   -0.6271    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4483   -0.3495    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.6136   -1.3057    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.4206   -1.4772    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0004   -0.9626    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.8415   -1.9918    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8974   -0.2146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1830   -1.4521    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5865   -1.2072    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1037    0.2636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4459   -0.1777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1934   -1.1341    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1656   -0.6926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  8  7  1  0  0  0  0
 10  9  1  0  0  0  0
 12 11  1  0  0  0  0
 15 13  1  0  0  0  0
 16 14  1  0  0  0  0
 18  1  1  0  0  0  0
 18  2  1  0  0  0  0
 19  3  1  1  0  0  0
 19  7  1  0  0  0  0
 19 18  1  0  0  0  0
 20  4  1  1  0  0  0
 20  8  1  0  0  0  0
 21  9  2  0  0  0  0
 21 17  1  0  0  0  0
 22 13  1  0  0  0  0
 22 17  1  0  0  0  0
 23 10  1  0  0  0  0
 24 11  1  0  0  0  0
 24 20  1  1  0  0  0
 25 12  1  0  0  0  0
 25 23  1  0  0  0  0
 26 14  1  0  0  0  0
 26 23  1  0  0  0  0
 27  5  1  6  0  0  0
 27 15  1  0  0  0  0
 27 21  1  0  0  0  0
 27 26  1  0  0  0  0
 28  6  1  6  0  0  0
 28 16  1  0  0  0  0
 28 24  1  0  0  0  0
 28 25  1  0  0  0  0
 22 29  1  6  0  0  0
 19 30  1  6  0  0  0
 20 31  1  6  0  0  0
 22 32  1  1  0  0  0
 23 33  1  6  0  0  0
 24 34  1  6  0  0  0
 25 35  1  6  0  0  0
 26 36  1  6  0  0  0
M  END
> <DATABASE_ID>
NP0044236

> <DATABASE_NAME>
NP-MRD

> <SMILES>
[H][C@@](C)(CC[C@@]([H])(C)[C@]1([H])CC[C@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@]3([H])CC[C@]12C)C(C)C

> <INCHI_IDENTIFIER>
InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24+,25-,26-,27+,28-/m1/s1

> <INCHI_KEY>
SGNBVLSWZMBQTH-NHCUBAMHSA-N

> <FORMULA>
C28H48O

> <MOLECULAR_WEIGHT>
400.691

> <EXACT_MASS>
400.370516166

> <JCHEM_ACCEPTOR_COUNT>
1

> <JCHEM_ATOM_COUNT>
77

> <JCHEM_AVERAGE_POLARIZABILITY>
50.981531481069915

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
1

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
0

> <JCHEM_IUPAC>
(1R,2R,5S,10S,11R,14S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

> <ALOGPS_LOGP>
6.81

> <JCHEM_LOGP>
7.399908127000002

> <ALOGPS_LOGS>
-7.26

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
4

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_ACIDIC>
18.20428950550382

> <JCHEM_PKA_STRONGEST_BASIC>
-1.3972437702926293

> <JCHEM_POLAR_SURFACE_AREA>
20.23

> <JCHEM_REFRACTIVITY>
125.16509999999992

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
0

> <ALOGPS_SOLUBILITY>
2.19e-05 g/l

> <JCHEM_TRADITIONAL_IUPAC>
(1R,2R,5S,10S,11R,14S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

> <JCHEM_VEBER_RULE>
1

$$$$

HEADER    PROTEIN                                 24-JUN-20   NONE
TITLE     NULL                                                        
COMPND    NULL                                                        
SOURCE    NULL                                                        
KEYWDS    NULL                                                        
EXPDTA    NULL                                                        
AUTHOR    Marvin                                                      
REVDAT   1   24-JUN-20         0                                  
HETATM    1  C   UNK     0      11.276  -1.171   0.000  0.00  0.00           C+0
HETATM    2  C   UNK     0       9.943  -3.481   0.000  0.00  0.00           C+0
HETATM    3  C   UNK     0       8.609   0.369   0.000  0.00  0.00           C+0
HETATM    4  C   UNK     0       4.608  -3.481   0.000  0.00  0.00           C+0
HETATM    5  C   UNK     0      -1.621  -3.902   0.000  0.00  0.00           C+0
HETATM    6  C   UNK     0       3.012  -2.827   0.000  0.00  0.00           C+0
HETATM    7  C   UNK     0       7.275  -1.941   0.000  0.00  0.00           C+0
HETATM    8  C   UNK     0       5.942  -1.171   0.000  0.00  0.00           C+0
HETATM    9  C   UNK     0      -3.206  -0.148   0.000  0.00  0.00           C+0
HETATM   10  C   UNK     0      -1.700   0.172   0.000  0.00  0.00           C+0
HETATM   11  C   UNK     0       3.113   0.361   0.000  0.00  0.00           C+0
HETATM   12  C   UNK     0       1.607   0.681   0.000  0.00  0.00           C+0
HETATM   13  C   UNK     0      -4.634  -4.542   0.000  0.00  0.00           C+0
HETATM   14  C   UNK     0      -0.115  -3.582   0.000  0.00  0.00           C+0
HETATM   15  C   UNK     0      -3.128  -4.222   0.000  0.00  0.00           C+0
HETATM   16  C   UNK     0       1.391  -3.261   0.000  0.00  0.00           C+0
HETATM   17  C   UNK     0      -5.189  -1.933   0.000  0.00  0.00           C+0
HETATM   18  C   UNK     0       9.943  -1.941   0.000  0.00  0.00           C+0
HETATM   19  C   UNK     0       8.609  -1.171   0.000  0.00  0.00           C+0
HETATM   20  C   UNK     0       4.608  -1.941   0.000  0.00  0.00           C+0
HETATM   21  C   UNK     0      -3.682  -1.613   0.000  0.00  0.00           C+0
HETATM   22  C   UNK     0      -5.664  -3.398   0.000  0.00  0.00           C+0
HETATM   23  C   UNK     0      -0.669  -0.973   0.000  0.00  0.00           C+0
HETATM   24  C   UNK     0       3.274  -1.171   0.000  0.00  0.00           C+0
HETATM   25  C   UNK     0       0.837  -0.652   0.000  0.00  0.00           C+0
HETATM   26  C   UNK     0      -1.145  -2.437   0.000  0.00  0.00           C+0
HETATM   27  C   UNK     0      -2.652  -2.757   0.000  0.00  0.00           C+0
HETATM   28  C   UNK     0       1.867  -1.797   0.000  0.00  0.00           C+0
HETATM   29  O   UNK     0      -7.171  -3.718   0.000  0.00  0.00           O+0
HETATM   30  H   UNK     0       7.275  -0.401   0.000  0.00  0.00           H+0
HETATM   31  H   UNK     0       5.942  -2.711   0.000  0.00  0.00           H+0
HETATM   32  H   UNK     0      -6.695  -2.253   0.000  0.00  0.00           H+0
HETATM   33  H   UNK     0      -0.194   0.492   0.000  0.00  0.00           H+0
HETATM   34  H   UNK     0       4.566  -0.332   0.000  0.00  0.00           H+0
HETATM   35  H   UNK     0       0.361  -2.117   0.000  0.00  0.00           H+0
HETATM   36  H   UNK     0      -2.176  -1.293   0.000  0.00  0.00           H+0
CONECT    1   18                                                            
CONECT    2   18                                                            
CONECT    3   19                                                            
CONECT    4   20                                                            
CONECT    5   27                                                            
CONECT    6   28                                                            
CONECT    7    8   19                                                       
CONECT    8    7   20                                                       
CONECT    9   10   21                                                       
CONECT   10    9   23                                                       
CONECT   11   12   24                                                       
CONECT   12   11   25                                                       
CONECT   13   15   22                                                       
CONECT   14   16   26                                                       
CONECT   15   13   27                                                       
CONECT   16   14   28                                                       
CONECT   17   21   22                                                       
CONECT   18    1    2   19                                                  
CONECT   19    3    7   18   30                                             
CONECT   20    4    8   24   31                                             
CONECT   21    9   17   27                                                  
CONECT   22   13   17   29   32                                             
CONECT   23   10   25   26   33                                             
CONECT   24   11   20   28   34                                             
CONECT   25   12   23   28   35                                             
CONECT   26   14   23   27   36                                             
CONECT   27    5   15   21   26                                             
CONECT   28    6   16   24   25                                             
CONECT   29   22                                                            
CONECT   30   19                                                            
CONECT   31   20                                                            
CONECT   32   22                                                            
CONECT   33   23                                                            
CONECT   34   24                                                            
CONECT   35   25                                                            
CONECT   36   26                                                            
MASTER        0    0    0    0    0    0    0    0   36    0   78    0
END

View in JSmol

Synonyms

Not Available

Chemical Formula

C₂₈H₄₈O

Average Mass

400.6910 Da

Monoisotopic Mass

400.37052 Da

IUPAC Name

(1R,2R,5S,10S,11R,14S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

Traditional Name

(1R,2R,5S,10S,11R,14S,15R)-14-[(2R,5R)-5,6-dimethylheptan-2-yl]-2,15-dimethyltetracyclo[8.7.0.0^{2,7}.0^{11,15}]heptadec-7-en-5-ol

CAS Registry Number

474-62-4

SMILES

[H][C@@](C)(CC[C@@]([H])(C)[C@]1([H])CC[C@]2([H])[C@]3([H])CC=C4C[C@@]([H])(O)CC[C@]4(C)[C@]3([H])CC[C@]12C)C(C)C

InChI Identifier

InChI=1S/C28H48O/c1-18(2)19(3)7-8-20(4)24-11-12-25-23-10-9-21-17-22(29)13-15-27(21,5)26(23)14-16-28(24,25)6/h9,18-20,22-26,29H,7-8,10-17H2,1-6H3/t19-,20-,22+,23+,24+,25-,26-,27+,28-/m1/s1

InChI Key

SGNBVLSWZMBQTH-NHCUBAMHSA-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, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 100 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 252 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 1000 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 50 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 200 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 75 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 300 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 101 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 400 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 126 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 500 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 151 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 600 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 176 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 700 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 201 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 800 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹³C NMR Spectrum (1D, 226 MHz, D₂O, predicted)	Wishart Lab	Wishart Lab	David Wishart	2021-06-20	View Spectrum
1D NMR	¹H NMR Spectrum (1D, 900 MHz, D₂O, 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
Abelmoschus esculentus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Abies firma	LOTUS Database	35616633
Abrus precatorius	LOTUS Database	35616633
Acanthaster planci	LOTUS Database	35616633
Acaulospora laevis	Fungi	KNApSAcK
Achillea biebersteinii	LOTUS Database	35616633
Achillea micrantha	LOTUS Database	35616633
Achillea millefolium	LOTUS Database	35616633
Actinidia chinensis	FooDB	PHYTOHUB
Adenosma caeruleum	Plant	KNApSAcK
Aesculus hippocastanum	LOTUS Database	35616633
Aframomum sceptrum	LOTUS Database	35616633
Agaricus bisporus	FooDB	FooDB
Agave	FooDB	FooDB
Agelas sceptrum	LOTUS Database	35616633
Ageratina conyzoides	Plant	KNApSAcK
Aglaia odorata	LOTUS Database	35616633
Ajuga reptans	LOTUS Database	35616633
Aleurites moluccanus	LOTUS Database	35616633
Aleuritopteris kuhnii	LOTUS Database	35616633
Alitta succinea	LOTUS Database	35616633
Allium ampeloprasum	FooDB	FooDB
Allium ascalonicum	FooDB	FooDB
Allium cepa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Allium cepa L.	FooDB	PHYTOHUB
Allium fistulosum	FooDB	FooDB
Allium obliquum	Plant	KNApSAcK
Allium sativum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Allium schoenoprasum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Allium tuberosum	FooDB	FooDB
Allomyces macrogynus	Fungi	KNApSAcK
Aloe africana	LOTUS Database	35616633
Aloe vera	Plant	KNApSAcK
Aloysia triphylla	FooDB	FooDB
Alpinia zerumbet	LOTUS Database	35616633
Alsophila spinulosa	LOTUS Database	35616633
Alstroemeria aurantiaca	LOTUS Database	35616633
Amaranthus	FooDB	FooDB
Amaranthus caudatus	LOTUS Database	35616633
Amaranthus hypochondriacus	LOTUS Database	35616633
Amaranthus tricolor	LOTUS Database	35616633
Amelanchier alnifolia	FooDB	FooDB
Amphilectus fucorum	LOTUS Database	35616633
Amsonia elliptica	LOTUS Database	35616633
Anacardium occidentale	FooDB	PHYTOHUB
Ananas comosus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Anastatica hierochuntica	LOTUS Database	35616633
Andrographis paniculata	LOTUS Database	35616633
Anethum graveolens	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Angelica keiskei	FooDB	FooDB
Annona cherimola	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Annona muricata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Annona reticulata	FooDB	FooDB
Annona squamosa	FooDB	FooDB
Anoectochilus koshunensis	LOTUS Database	35616633
Anthelia glauca	LOTUS Database	35616633
Anthriscus cerefolium	FooDB	FooDB
Apis mellifera	LOTUS Database	35616633
Apium graveolens	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Apium graveolens var. dulce	FooDB	FooDB
Apium graveolens var. rapaceum	FooDB	FooDB
Apium graveolens var. secalinum	FooDB	FooDB
Arabidopsis thaliana	Plant	KNApSAcK
Arachis hypogaea	FooDB	PHYTOHUB
Arctium lappa	FooDB	FooDB
Aristolochia indica	LOTUS Database	35616633
Armoracia rusticana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Artemisia dracunculus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Artemisia keiskeana	LOTUS Database	35616633
Artemisia monosperma	LOTUS Database	35616633
Artemisia vulgaris	FooDB	FooDB
Artocarpus altilis	FooDB	FooDB
Artocarpus heterophyllus	FooDB	FooDB
Arundo donax	LOTUS Database	35616633
Asclepias speciosa	LOTUS Database	35616633
Asparagus officinalis	FooDB	FooDB
Asphodelus albus	Plant	KNApSAcK
Astragalus glycyphyllos	Plant	KNApSAcK
Attalea speciosa	FooDB	FooDB
Aureococcus anophagefferens	LOTUS Database	35616633
Aureoumbra lagunensis	LOTUS Database	35616633
Auricularia auricula-judae	FooDB	FooDB
Auricularia polytricha	FooDB	FooDB
Avena sativa	LOTUS Database	35616633
Avena sativa L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Averrhoa carambola	Plant	KNApSAcK
Avicennia marina	LOTUS Database	35616633
Axinella aruensis	LOTUS Database	35616633
Axinella cannabina	LOTUS Database	35616633
Azolla nilotica	LOTUS Database	35616633
Baccharoides anthelmintica	LOTUS Database	35616633
Basella alba	FooDB	FooDB
Bauhinia candicans	Plant	KNApSAcK
Bauhinia forficata	LOTUS Database	35616633
Bauhinia vahlii L.	Plant	KNApSAcK
Benincasa hispida	FooDB	FooDB
Bertholletia excelsa	FooDB	PHYTOHUB
Beta vulgaris	FooDB	FooDB
Beta vulgaris ssp. cicla	FooDB	FooDB
Blumea lacera	LOTUS Database	35616633
Blutaparon portulacoides	Plant	KNApSAcK
Boehmeria holosericea	Plant	KNApSAcK
Boehmeria tricuspis	Plant	KNApSAcK
Boerhavia diffusa	LOTUS Database	35616633
Bombyx mori	LOTUS Database	35616633
Borago officinalis	FooDB	FooDB
Brassica alboglabra	FooDB	FooDB
Brassica campestris L.	Plant	KNApSAcK
Brassica juncea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica napa	Plant	KNApSAcK
Brassica napus	FooDB	KNAPSACK
Brassica napus var. napus	FooDB	USDA
Brassica oleracea	FooDB	PHYTOHUB
Brassica oleracea var. botrytis	FooDB	PHYTOHUB
Brassica oleracea var. capitata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica oleracea var. gemmifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica oleracea var. gongylodes	FooDB	FooDB
Brassica oleracea var. italica	FooDB	PHYTOHUB
Brassica oleracea var. sabauda	FooDB	FooDB
Brassica oleracea var. viridis	FooDB	FooDB
Brassica rapa	FooDB	KNAPSACK
Brassica rapa L.	Plant	KNApSAcK
Brassica rapa ssp. chinensis	FooDB	FooDB
Brassica rapa var. pekinensis	FooDB	FooDB
Brassica rapa var. rapa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Brassica ruvo	FooDB	FooDB
Bridelia ovata	LOTUS Database	35616633
Brosimum alicastrum	FooDB	FooDB
Bugula neritina	LOTUS Database	35616633
Byrsonima crassifolia	FooDB	FooDB
Cabralea canjerana	LOTUS Database	35616633
Cacalia auriculata	LOTUS Database	35616633
Cajanus cajan	FooDB	FooDB
Campanula medium	LOTUS Database	35616633
Canarium ovatum	FooDB	FooDB
Canavalia ensiformis	LOTUS Database	35616633
Cannabis sativa	CannabisDB	Not Available
Cantharellus cibarius	FooDB	USDA
Capparis spinosa	FooDB	FooDB
Capsicum annuum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Capsicum annuum L.	FooDB	FooDB
Capsicum annuum var. annuum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Capsicum chinense	FooDB	FooDB
Capsicum pubescens	FooDB	FooDB
Carica papaya L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Carissa macrocarpa	FooDB	FooDB
Carthamus tinctorius	FooDB	FooDB
Carum carvi	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Carya	FooDB	FooDB
Carya illinoinensis	FooDB	PHYTOHUB
Castanea	FooDB	FooDB
Castanea crenata	FooDB	FooDB
Castanea mollissima	FooDB	FooDB
Castanea sativa	FooDB	FooDB
Catharanthus roseus	LOTUS Database	35616633
Cedrela odorata	LOTUS Database	35616633
Centaurea nigra	LOTUS Database	35616633
Centella asiatica	LOTUS Database	35616633
Ceratonia siliqua	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Chamaemelum nobile	FooDB	FooDB
Chamerion angustifolium	FooDB	FooDB
Cheiropleuria bicuspis	LOTUS Database	35616633
Chenopodium album	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Chenopodium quinoa	FooDB	FooDB
Chloromorum toxicum	-	KNApSAcK
Choisya ternata	LOTUS Database	35616633
Chorisia insignis	-	KNApSAcK
Chorisia speciosa	-	KNApSAcK
Chrysanthemum coronarium	FooDB	FooDB
Chrysobalanus icaco	LOTUS Database	35616633
Cicer arietinum	FooDB	FooDB
Cichorium endivia	FooDB	FooDB
Cichorium intybus	FooDB	FooDB
Cinnamomum	FooDB	FooDB
Cinnamomum aromaticum	FooDB	FooDB
Cinnamomum verum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cirsium	FooDB	FooDB
Citrullus colocynthis	LOTUS Database	35616633
Citrullus lanatus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Citrus ×limon (L.) Burm. f. (pro sp.)	FooDB	FooDB
Citrus aurantiifolia	FooDB	FooDB
Citrus aurantium	LOTUS Database	35616633
Citrus latifolia	FooDB	FooDB
Citrus limon	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Citrus maxima	FooDB	FooDB
Citrus paradisi	FooDB	FooDB
Citrus reticulata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Citrus sinensis	LOTUS Database	35616633
Citrus trifoliata	LOTUS Database	35616633
Citrus X sinensis (L.) Osbeck (pro. sp.)	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Clematis vitalba	LOTUS Database	35616633
Clerodendrum chinense	LOTUS Database	35616633
Clerodendrum fragrans	LOTUS Database	35616633
Clerodendrum infortunatum	LOTUS Database	35616633
Cliona celata	LOTUS Database	35616633
Cocos nucifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Coffea arabica L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Coffea canephora	FooDB	FooDB
Coix lacryma-jobi	LOTUS Database	35616633
Colocasia esculenta	FooDB	FooDB
Conium maculatum	LOTUS Database	35616633
Convolvulus arvensis	LOTUS Database	35616633
Corchorus olitorius	FooDB	FooDB
Coriandrum sativum L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Coriaria intermedia	LOTUS Database	35616633
Corylus	FooDB	USDA
Corylus avellana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Corylus maxima	Plant	KNApSAcK
Costus spiralis	LOTUS Database	35616633
Costus tonkinensis	LOTUS Database	35616633
Crateva religiosa	FooDB	FooDB
Crocus sativus	FooDB	FooDB
Croton urucurana	LOTUS Database	35616633
Croton urucurana Baill.	Plant	KNApSAcK
Crotone hieronymi	-	KNApSAcK
Cucumis melo	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cucumis metuliferus	FooDB	FooDB
Cucumis sativus L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cucurbita	FooDB	FooDB
Cucurbita maxima	FooDB	USDA
Cucurbita moschata	FooDB	FooDB
Cucurbita pepo	LOTUS Database	35616633
Cuminum cyminum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Curcuma longa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Cuscuta campestris	LOTUS Database	35616633
Cyanthillium cinereum	LOTUS Database	35616633
Cydonia oblonga	FooDB	FooDB
Cymbopogon citratus	FooDB	USDA
Cymodocea serrulata	Plant	KNApSAcK
Cynara cardunculus	FooDB	FooDB
Cynara humilis	LOTUS Database	35616633
Cynara scolymus	FooDB	FooDB
Cystoseira barbata	LOTUS Database	35616633
Cyttaria johowii	LOTUS Database	35616633
Dalbergia monetaria	LOTUS Database	35616633
Daucus carota	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Daucus carota ssp. sativus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Dictyota dichotoma	LOTUS Database	35616633
Digitalis lanata	Plant	KNApSAcK
Digitalis purpurea	LOTUS Database	35616633
Dimocarpus longan	FooDB	FooDB
Dioscorea	FooDB	FooDB
Dioscorea communis	Plant	KNApSAcK
Dioscorea cyphocarpa	Plant	KNApSAcK
Dioscorea deltoidea	LOTUS Database	35616633
Dioscorea dumetorum	LOTUS Database	35616633
Dioscorea floribunda	LOTUS Database	35616633
Dioscorea pentaphylla	FooDB	FooDB
Diospyros	FooDB	FooDB
Diospyros kaki	FooDB	KNAPSACK
Diospyros virginiana	FooDB	FooDB
Diplopterygium glaucum	LOTUS Database	35616633
Dracaena cinnabari	LOTUS Database	35616633
Dragmacidon lunaecharta	LOTUS Database	35616633
Dryopteris crassirhizoma	LOTUS Database	35616633
Durio zibethinus	FooDB	FooDB
Dysidea fragilis	LOTUS Database	35616633
Dysphania ambrosioides	FooDB	FooDB
Echinometra lucunter	LOTUS Database	35616633
Elaeis	FooDB	FooDB
Eleocharis dulcis	FooDB	FooDB
Eleocharis sellowiana	LOTUS Database	35616633
Elettaria cardamomum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Empetrum nigrum	FooDB	FooDB
Enhalus acoroides	Plant	KNApSAcK
Ephedra equisetina	LOTUS Database	35616633
Equisetum arvense	LOTUS Database	35616633
Eragrostis tef	FooDB	FooDB
Eriobotrya japonica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Eruca vesicaria subsp. Sativa	FooDB	FooDB
Ervatamia coronaria	LOTUS Database	35616633
Eryngium foetidum	LOTUS Database	35616633
Erysimum carniolicum	Plant	KNApSAcK
Erythrina arborescens Roxb.	Plant	KNApSAcK
Eugenia javanica	FooDB	FooDB
Eugenia uniflora	FooDB	FooDB
Euonymus japonicus	LOTUS Database	35616633
Euphorbia bivonae	LOTUS Database	35616633
Euphorbia characias	LOTUS Database	35616633
Euphorbia fischeriana	LOTUS Database	35616633
Euphorbia indica	Plant	KNApSAcK
Euphorbia lathyris	Plant	KNApSAcK
Euphorbia milii	LOTUS Database	35616633
Eurycoma longifolia	LOTUS Database	35616633
Eutrema japonicum	FooDB	FooDB
Eutreptia viridis	LOTUS Database	35616633
Fagara tessmannii Engl.	Plant	KNApSAcK
Fagopyrum esculentum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Fagopyrum tataricum	FooDB	FooDB
Fagus	FooDB	FooDB
Feijoa sellowiana	FooDB	FooDB
Festuca argentina	LOTUS Database	35616633
Festuca hieronymi	LOTUS Database	35616633
Ficus carica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ficus pumila	LOTUS Database	35616633
Flammulina velutipes	FooDB	FooDB
Foeniculum vulgare	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Fragaria x ananassa	FooDB	PHYTOHUB
Frullania falciloba	LOTUS Database	35616633
Frullania monocera	Plant	KNApSAcK
Fusarium culmorum	Fungi	KNApSAcK
Fusarium sporotrichioides	Fungi	KNApSAcK
Galega officinalis	LOTUS Database	35616633
Garcinia mangostana	FooDB	FooDB
Gaylussacia baccata	FooDB	FooDB
Gentiana lutea	Plant	KNApSAcK
Ginkgo biloba	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Gleichenia japonica	LOTUS Database	35616633
Glomus mosseae	Fungi	KNApSAcK
Glycine ma	Plant	KNApSAcK
Glycine max	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Gomphrena celosioides	Plant	KNApSAcK
Goniophlebium mengtzeense	LOTUS Database	35616633
Gossypium	FooDB	FooDB
Grewia bicolor Juss.	LOTUS Database	35616633
Grifola frondosa	FooDB	USDA
Gryllotalpa orientalis	LOTUS Database	35616633
Halocynthia aurantium	LOTUS Database	35616633
Halodule uninervis	Plant	KNApSAcK
Halophila ovalis	Plant	KNApSAcK
Halophila ovata	Plant	KNApSAcK
Halophila spinulosa	Plant	KNApSAcK
Haplophyllum bucharicum	LOTUS Database	35616633
Harrisonia abyssinica	LOTUS Database	35616633
Hedysarum alpinum	FooDB	FooDB
Helianthus annuus	LOTUS Database	35616633
Helianthus annuus L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Helianthus tuberosus	FooDB	FooDB
Heliotropium indicum	Plant	KNApSAcK
Heptapleurum rhododendrifolium	LOTUS Database	35616633
Herrania albiflora	LOTUS Database	35616633
Hibiscus cannabinus	LOTUS Database	35616633
Hibiscus sabbariffa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Hibiscus sabdariffa	LOTUS Database	35616633
Hippophae rhamnoides	FooDB	FooDB
Hordeum vulgare	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Hordeum vulgare L.cv Mammut	Plant	KNApSAcK
Hoslundia opposita	LOTUS Database	35616633
Hydrodictyon reticulatum	LOTUS Database	35616633
Hypericum carinatum	Plant	KNApSAcK
Hyphochytrium catenoides	-	KNApSAcK
Hyssopus officinalis L.	FooDB	FooDB
Ilex aquifolium	LOTUS Database	35616633
Illicium verum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Ipheion uniflorum	LOTUS Database	35616633
Ipomoea aquatica	FooDB	FooDB
Ipomoea batatas	FooDB	FooDB
Iris pallida	LOTUS Database	35616633
Isodon umbrosus	LOTUS Database	35616633
Jacobaea arnautorum	LOTUS Database	35616633
Juglans	FooDB	USDA
Juglans ailanthifolia	FooDB	FooDB
Juglans cinerea	FooDB	FooDB
Juglans nigra L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Juglans regia	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Kalanchoe petitiana	LOTUS Database	35616633
Kalanchoe pinnata	LOTUS Database	35616633
Kalanchoe spathulata	Plant	KNApSAcK
Khaya anthotheca	LOTUS Database	35616633
Khaya ivorensis	Plant	KNApSAcK
Khaya senegalensis	LOTUS Database	35616633
Khaya senegalensis L.	Plant	KNApSAcK
Lablab purpureus	FooDB	FooDB
Lactuca sativa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lagenaria siceraria	FooDB	FooDB
Lantana camara	LOTUS Database	35616633
Larix gmelini	LOTUS Database	35616633
Larix sibirica	LOTUS Database	35616633
Laserpitium siler	LOTUS Database	35616633
Lathyrus sativus	FooDB	FooDB
Laurus nobilis L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Lemna aequinoctialis	LOTUS Database	35616633
Lens culinaris	FooDB	USDA
Lentinus edodes	FooDB	USDA
Lepidium meyenii	LOTUS Database	35616633
Lepidium sativum	FooDB	FooDB
Leptogorgia violetta	LOTUS Database	35616633
Leucas aspera	LOTUS Database	35616633
Levisticum officinale	FooDB	FooDB
Libanotis intermedia	-	KNApSAcK
Ligularia amplexicaulis	LOTUS Database	35616633
Linum usitatissimum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Litchi chinensis	FooDB	FooDB
Litsea japonica	Plant	KNApSAcK
Lobatiriccardia lobata	LOTUS Database	35616633
Lobophytum crassum	LOTUS Database	35616633
Lophanthera lactescens	LOTUS Database	35616633
Luffa aegyptiaca	FooDB	FooDB
Lupinus	FooDB	FooDB
Lupinus albus	FooDB	FooDB
Macadamia	FooDB	PHYTOHUB
Macadamia tetraphylla	FooDB	USDA
Malpighia emarginata	FooDB	FooDB
Malus	FooDB	FooDB
Malus pumila	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Malva parviflora	Plant	KNApSAcK
Mammea americana	FooDB	FooDB
Mangifera indica	FooDB	FooDB
Manihot esculenta	FooDB	FooDB
Manilkara zapota	FooDB	FooDB
Mannia fragrans	LOTUS Database	35616633
Maranta arundinacea	FooDB	FooDB
Marchantia polymorpha	LOTUS Database	35616633
Markhamia zanzibarica	LOTUS Database	35616633
Matricaria recutita	FooDB	FooDB
Matteuccia struthiopteris	FooDB	FooDB
Mauritius raspberry	LOTUS Database	35616633
Medicago sativa	FooDB	PHYTOHUB
Melicope latifolia	LOTUS Database	35616633
Melicope semecarpifolia	Plant	KNApSAcK
Melissa officinalis	LOTUS Database	35616633
Melissa officinalis L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Mentha	FooDB	FooDB
Mentha aquatica	FooDB	FooDB
Mentha arvensis	FooDB	FooDB
Mentha spicata	FooDB	FooDB
Mentha x piperita	FooDB	FooDB
Mespilus germanica	FooDB	FooDB
Metroxylon sagu	FooDB	FooDB
Mikania campanulata	LOTUS Database	35616633
Momordica charantia	FooDB	FooDB
Monoblepharella sp.	-	KNApSAcK
Monteverdia ilicifolia	LOTUS Database	35616633
Morchellaceae	FooDB	USDA
Morella rubra	FooDB	FooDB
Moringa oleifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Morus	FooDB	FooDB
Morus nigra	FooDB	FooDB
Mus musculus	LOTUS Database	35616633
Musa acuminata	FooDB	PHYTOHUB
Musa paradisiaca	LOTUS Database	35616633
Musa x paradisiaca	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Myrica	FooDB	FooDB
Myristica fragrans	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Nauclea diderrichii	LOTUS Database	35616633
Nelumbo	FooDB	FooDB
Nelumbo nucifera	FooDB	FooDB
Neolitsea aciculata	Plant	KNApSAcK
Nephelium lappaceum	FooDB	FooDB
Nervilia plicata	LOTUS Database	35616633
Nicotiana benthamiana	Plant	KNApSAcK
Nicotiana debneyi	LOTUS Database	35616633
Nicotiana paniculata	LOTUS Database	35616633
Nicotiana tabacum	Plant	KNApSAcK
Nigella sativa	LOTUS Database	35616633
Nothoscordum inodorum	LOTUS Database	35616633
Nuphar lutea	FooDB	USDA
Ochromonas danica	LOTUS Database	35616633
Ocimum basilicum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Oenothera biennis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Olea europaea	FooDB	FooDB
Oleandra wallichii	LOTUS Database	35616633
Ophiocordyceps sinensis	LOTUS Database	35616633
Ophiognomonia leptostyla	LOTUS Database	35616633
Opuntia	FooDB	FooDB
Opuntia cochenillifera	FooDB	FooDB
Opuntia macrorhiza	FooDB	FooDB
Origanum majorana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Origanum onites	FooDB	FooDB
Origanum vulgare	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Origanum X majoricum	FooDB	FooDB
Ornithopus sativus	LOTUS Database	35616633
Oryza coarctata	LOTUS Database	35616633
Oryza rufipogon	FooDB	FooDB
Oryza sativa	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Oxyceros horridus	LOTUS Database	35616633
Pachyrhizus erosus	FooDB	FooDB
Padina gymnospora	LOTUS Database	35616633
Paederia foetida	Plant	KNApSAcK
Paeonia emodi	LOTUS Database	35616633
Paeonia suffruticosa	LOTUS Database	35616633
Palythoa caribaeorum	LOTUS Database	35616633
Panax ginseng	FooDB	FooDB
Panax quinquefolius	LOTUS Database	35616633
Pangium edule	FooDB	FooDB
Panicum miliaceum	FooDB	FooDB
Papaver	FooDB	PHYTOHUB
Papaver rhoeas	LOTUS Database	35616633
Passiflora edulis	FooDB	PHYTOHUB
Pastinaca sativa	FooDB	FooDB
Pavlova gyrans	LOTUS Database	35616633
Pediomelum esculentum	FooDB	FooDB
Pentaphalangium solomonse Warb.	Plant	KNApSAcK
Peperomia pellucida	LOTUS Database	35616633
Perideridia oregana	FooDB	FooDB
Perilla frutescens	LOTUS Database	35616633
Persea americana	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Petasites japonicus	FooDB	FooDB
Petroselinum crispum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Petrosia ficiformis	LOTUS Database	35616633
Petrosia weinbergi	LOTUS Database	35616633
Phallusia nigra	LOTUS Database	35616633
Phaseolus coccineus	FooDB	FooDB
Phaseolus lunatus	FooDB	FooDB
Phaseolus vulgaris	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Phoenix dactylifera	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Photinia melanocarpa	FooDB	FooDB
Phyllanthus flexuosus	LOTUS Database	35616633
Phyllidiella pustulosa	LOTUS Database	35616633
Phyllostachys edulis	FooDB	FooDB
Physalis	FooDB	FooDB
Physalis peruviana	LOTUS Database	35616633
Physalis philadelphica var. immaculata	FooDB	FooDB
Physarum flavicomum	Amoebozoa	KNApSAcK
Physarum polycephalum	Amoebozoa	KNApSAcK
Phytolacca americana	FooDB	FooDB
Picea jezoensis	LOTUS Database	35616633
Picea obovata	LOTUS Database	35616633
Pimenta dioica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pimpinella anisum	FooDB	FooDB
Pinus	FooDB	PHYTOHUB
Pinus armandii	LOTUS Database	35616633
Pinus edulis	FooDB	FooDB
Pinus sibirica	LOTUS Database	35616633
Piper guineense	LOTUS Database	35616633
Piper nigrum L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pistacia vera	FooDB	PHYTOHUB
Pisum sativum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Placopecten magellanicus	-	KNApSAcK
Pleopeltis polypodioides	LOTUS Database	35616633
Pleurotus ostreatus	FooDB	USDA
Pleurozia gigantea	LOTUS Database	35616633
Plumbago indica	LOTUS Database	35616633
Polygonum alpinum	FooDB	FooDB
Polypodium formosanum	LOTUS Database	35616633
Portulaca oleracea	FooDB	FooDB
Posidonia oceanica	Plant	KNApSAcK
Potentilla fruticosa	LOTUS Database	35616633
Pouteria sapota	FooDB	FooDB
Prosopis glandulosa	LOTUS Database	35616633
Prosopis spicigera	Plant	KNApSAcK
Prunus africana	LOTUS Database	35616633
Prunus armeniaca	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus avium	FooDB	FooDB
Prunus avium L.	FooDB	FooDB
Prunus cerasus	FooDB	FooDB
Prunus domestica	FooDB	PHYTOHUB
Prunus dulcis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus mahaleb	LOTUS Database	35616633
Prunus persica	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Prunus persica var. nucipersica	FooDB	FooDB
Prunus persica var. persica	FooDB	FooDB
Prunus tomentosa	FooDB	FooDB
Prunus virginiana	FooDB	FooDB
Psidium cattleianum	FooDB	FooDB
Psidium guajava	FooDB	FooDB
Psophocarpus tetragonolobus	FooDB	FooDB
Punica granatum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Pyrocystis lunula	LOTUS Database	35616633
Pyrus communis	FooDB	FooDB
Pyrus pyrifolia	FooDB	FooDB
Quercus	FooDB	FooDB
Quercus ilex	LOTUS Database	35616633
Radula kojana	LOTUS Database	35616633
Raphanus sativus	FooDB	FooDB
Raphanus sativus var. longipinnatus	FooDB	FooDB
Raphanus sativus var. sativus	FooDB	FooDB
Rheum rhabarbarum	FooDB	FooDB
Rhinella arenarum	LOTUS Database	35616633
Rhizidiomyces apophysatus	-	KNApSAcK
Rhizophora apiculata	LOTUS Database	35616633
Ribes aureum	FooDB	FooDB
Ribes glandulosum	FooDB	FooDB
Ribes nigrum	FooDB	PHYTOHUB
Ribes rubrum	FooDB	PHYTOHUB
Ribes uva-crispa	FooDB	FooDB
Rosa	FooDB	FooDB
Rubus arcticus	FooDB	FooDB
Rubus chamaemorus	FooDB	FooDB
Rubus idaeus	FooDB	FooDB
Rubus occidentalis	FooDB	FooDB
Rubus rosa	LOTUS Database	35616633
Rubus spectabilis	FooDB	FooDB
Ruellia tuberosa	Plant	KNApSAcK
Rumex	FooDB	FooDB
Rumex acetosa	FooDB	FooDB
Rumex articus	FooDB	FooDB
Ruppia maritima	Plant	KNApSAcK
Ruscus hypoglossum	LOTUS Database	35616633
Sagittaria latifolia	FooDB	FooDB
Salix pulchra	FooDB	FooDB
Salsola collina	LOTUS Database	35616633
Salvia elegans	FooDB	FooDB
Salvia fruticosa	LOTUS Database	35616633
Salvia hispanica	FooDB	FooDB
Salvia officinalis	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Salvia rosmarinus	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sambucus canadensis	Plant	KNApSAcK
Sambucus chinensis	LOTUS Database	35616633
Sambucus nigra	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sambucus nigra L.	FooDB	FooDB
Sanicula epipactis	LOTUS Database	35616633
Sarcophyton crassocaule	Plant	KNApSAcK
Sarcophyton glaucum	LOTUS Database	35616633
Satureja hortensis L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Satureja montana	FooDB	FooDB
Saussurea controversa	LOTUS Database	35616633
Schizonepeta tenuifolia	LOTUS Database	35616633
Schleichera oleosa	LOTUS Database	35616633
Schleichera trijuga	Plant	KNApSAcK
Scorzonera hispanica	FooDB	FooDB
Secale cereale	FooDB	PHYTOHUB
Sechium edule	FooDB	FooDB
Senecio viravira	Plant	KNApSAcK
Senna petersiana	LOTUS Database	35616633
Senna singueana	LOTUS Database	35616633
Sesamum alatum	LOTUS Database	35616633
Sesamum indicum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Sesbania bispinosa	FooDB	FooDB
Setaria italica	LOTUS Database	35616633
Setaria viridis	LOTUS Database	35616633
Sida rhombifolia	Plant	KNApSAcK
Sideritis argosphacelus var. spicata	Plant	KNApSAcK
Sideritis candicans var.eriocephala	Plant	KNApSAcK
Sideritis cretica	LOTUS Database	35616633
Sideritis discolor	Plant	KNApSAcK
Sideritis kuegleriana	Plant	KNApSAcK
Sideritis lotsyi	Plant	KNApSAcK
Sideritis lotsyi var. mascaensis	Plant	KNApSAcK
Sideritis soluta	Plant	KNApSAcK
Sideritis taurica	LOTUS Database	35616633
Sideritis tenoi	Plant	KNApSAcK
Sinapis alba	FooDB	FooDB
Sinopodophyllum hexandrum	LOTUS Database	35616633
Sinularia brassica	-	KNApSAcK
Sinularia molesta	LOTUS Database	35616633
Sisymbrium	FooDB	FooDB
Solanum aethiopicum	LOTUS Database	35616633
Solanum argentinum	LOTUS Database	35616633
Solanum arundo	LOTUS Database	35616633
Solanum aviculare	LOTUS Database	35616633
Solanum chacoense Bitt.	Plant	KNApSAcK
Solanum lycopersicum	FooDB	PHYTOHUB
Solanum lycopersicum var. cerasiforme	FooDB	FooDB
Solanum lycopersicum var. lycopersicum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Solanum mammosum	LOTUS Database	35616633
Solanum melongena	FooDB	FooDB
Solanum nigrum	LOTUS Database	35616633
Solanum palitans	LOTUS Database	35616633
Solanum pseudocapsicum	LOTUS Database	35616633
Solanum quitoense	FooDB	FooDB
Solanum torvum	LOTUS Database	35616633
Solanum tuberosum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Solanum virginianum	Plant	KNApSAcK
Sorbus aucuparia	FooDB	FooDB
Sorghum bicolor	FooDB	FooDB
Spinacia oleracea	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Spiraea formosana	LOTUS Database	35616633
Spizellomyces punctatum	-	KNApSAcK
Stauntonia hexaphylla	LOTUS Database	35616633
Strachybotrys alternans	-	KNApSAcK
Strychnos dolychothyrsa	Plant	KNApSAcK
Symphoricarpos albus	LOTUS Database	35616633
Symphyotrichum subulatum	LOTUS Database	35616633
Symphytum officinale	LOTUS Database	35616633
Syzygium aromaticum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Syzygium cumini	FooDB	FooDB
Syzygium jambos	FooDB	FooDB
Tabernaemontana catharinensis	LOTUS Database	35616633
Tabernaemontana pachysiphon	LOTUS Database	35616633
Tamarindus indica	FooDB	FooDB
Tanacetum parthenium	LOTUS Database	35616633
Tanacetum vulgare	LOTUS Database	35616633
Taraxacum officinale	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Taxus cuspidata	Plant	KNApSAcK
Tetragonia tetragonioides	FooDB	FooDB
Thalassia hemprichii	Plant	KNApSAcK
Thelesperma	FooDB	FooDB
Theobroma cacao	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Theobroma speciosum	LOTUS Database	35616633
Thomandersia laurifolia	LOTUS Database	35616633
Thujopsis dolabrata	LOTUS Database	35616633
Thymus pulegioides	FooDB	FooDB
Thymus vulgaris	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Tilia cordata	FooDB	FooDB
Tilia L.	FooDB	FooDB
Tillandsia brachycaulos	LOTUS Database	35616633
Tillandsia fasciculata	LOTUS Database	35616633
Tillandsia streptocarpa	LOTUS Database	35616633
Toona ciliata	LOTUS Database	35616633
Tragopogon porrifolius	FooDB	FooDB
Trichophyton mentagrophytes	Fungi	KNApSAcK
Trichosanthes kirilowii	Plant	KNApSAcK
Trigonella foenum-graecum	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Triticum	FooDB	FooDB
Triticum aestivum	FooDB	PHYTOHUB
Triticum durum	FooDB	FooDB
Triticum spelta	FooDB	FooDB
Triticum spp	Plant	KNApSAcK
Triticum spp.	Plant	KNApSAcK
Triticum turanicum	FooDB	FooDB
Tsuga chinensis	LOTUS Database	35616633
Typha angustifolia	FooDB	FooDB
Typha capensis	LOTUS Database	35616633
Urtica dioica	LOTUS Database	35616633
Vaccinium	FooDB	PHYTOHUB
Vaccinium angustifolium	FooDB	FooDB
Vaccinium angustifolium X Vaccinium corymbosum	FooDB	FooDB
Vaccinium arboreum	FooDB	FooDB
Vaccinium corymbosum	FooDB	FooDB
Vaccinium deliciosum	FooDB	FooDB
Vaccinium elliottii	FooDB	FooDB
Vaccinium macrocarpon	FooDB	FooDB
Vaccinium myrtilloides	FooDB	FooDB
Vaccinium myrtillus	FooDB	FooDB
Vaccinium ovalifolium	FooDB	FooDB
Vaccinium ovatum	FooDB	FooDB
Vaccinium oxycoccos	FooDB	FooDB
Vaccinium parvifolium	FooDB	FooDB
Vaccinium reticulatum	FooDB	FooDB
Vaccinium stamineum	FooDB	FooDB
Vaccinium uliginosum	FooDB	FooDB
Vaccinium vitis-idaea	FooDB	FooDB
Valerianella locusta	FooDB	FooDB
Vanilla	FooDB	FooDB
Vanilla planifolia Jacks.	LOTUS Database	35616633
Vellozia declinans	LOTUS Database	35616633
Verbena officinalis	FooDB	FooDB
Vernicia fordii	Plant	KNApSAcK
Veronica officinalis	Plant	KNApSAcK
Veronica orchidea	Plant	KNApSAcK
Veronica teucrium	Plant	KNApSAcK
Viburnum edule	FooDB	FooDB
Vicia faba	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna aconitifolia	FooDB	FooDB
Vigna angularis	FooDB	FooDB
Vigna mungo	FooDB	FooDB
Vigna radiata	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Vigna umbellata	FooDB	FooDB
Vigna unguiculata	FooDB	FooDB
Vigna unguiculata ssp. cylindrica	FooDB	FooDB
Vigna unguiculata ssp. unguiculata	FooDB	FooDB
Vigna unguiculata var. sesquipedalis	FooDB	FooDB
Vitis	FooDB	PHYTOHUB
Vitis aestivalis	FooDB	FooDB
Vitis labrusca	FooDB	FooDB
Vitis rotundifolia	FooDB	FooDB
Vitis vinifera L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Wettsteinia inversa	LOTUS Database	35616633
Woodwardia orientalis	LOTUS Database	35616633
Xanthium strumarium	Plant	KNApSAcK
Xanthosoma sagittifolium	FooDB	FooDB
Yucca glauca Nutt.	LOTUS Database	35616633
Yucca gloriosa	LOTUS Database	35616633
Zantedeschia aethiopica	LOTUS Database	35616633
Zanthoxylum wutaiense	Plant	KNApSAcK
Zea mays	LOTUS Database	35616633
Zea mays L.	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Zingiber officinale	FooDB	Dr. Duke's Phytochemical and Ethnobotanical Databases
Zizania	FooDB	FooDB
Zizania aquatica	FooDB	FooDB
Ziziphus zizyphus	FooDB	FooDB

Chemical Taxonomy

Classification

Not classified

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	6.81	ALOGPS
logP	7.4	ChemAxon
logS	-7.3	ALOGPS
pKa (Strongest Acidic)	18.2	ChemAxon
pKa (Strongest Basic)	-1.4	ChemAxon
Physiological Charge	0	ChemAxon
Hydrogen Acceptor Count	1	ChemAxon
Hydrogen Donor Count	1	ChemAxon
Polar Surface Area	20.23 Å²	ChemAxon
Rotatable Bond Count	5	ChemAxon
Refractivity	125.17 m³·mol⁻¹	ChemAxon
Polarizability	50.98 Å³	ChemAxon
Number of Rings	4	ChemAxon
Bioavailability	Yes	ChemAxon
Rule of Five	No	ChemAxon
Ghose Filter	No	ChemAxon
Veber's Rule	Yes	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

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

Turner CE, Elsohly MA, Boeren EG: Constituents of Cannabis sativa L. XVII. A review of the natural constituents. J Nat Prod. 1980 Mar-Apr;43(2):169-234. doi: 10.1021/np50008a001. [PubMed:6991645 ]
Katan MB, Grundy SM, Jones P, Law M, Miettinen T, Paoletti R: Efficacy and safety of plant stanols and sterols in the management of blood cholesterol levels. Mayo Clin Proc. 2003 Aug;78(8):965-78. doi: 10.4065/78.8.965. [PubMed:12911045 ]
Cedo L, Farras M, Lee-Rueckert M, Escola-Gil JC: Molecular Insights into the Mechanisms Underlying the Cholesterol- Lowering Effects of Phytosterols. Curr Med Chem. 2019;26(37):6704-6723. doi: 10.2174/0929867326666190822154701. [PubMed:31438826 ]

Showing NP-Card for Campesterol (NP0044236)

MOL for NP0044236 (Campesterol)

3D MOL for NP0044236 (Campesterol)

3D SDF for NP0044236 (Campesterol)

3D-SDF for NP0044236 (Campesterol)

PDB for NP0044236 (Campesterol)

3D PDB for NP0044236 (Campesterol)

SMILES for NP0044236 (Campesterol)

INCHI for NP0044236 (Campesterol)

Structure for NP0044236 (Campesterol)

3D Structure for NP0044236 (Campesterol)