34 Known Ingredients in Total


Unique ingredients have been isolated from this plant.
Plant-Ingredients Associations were manually curated from publications or collected from other databases.



16 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC80230
Formula: C22H22O7

Ingredient ID: NPC76380
Formula: C15H10O6

Ingredient ID: NPC43872
Formula: C14H16O9

Ingredient ID: NPC43696
Formula: C7H6O5

Ingredient ID: NPC35412
Formula: C32H32O8

Ingredient ID: NPC312929
Formula: C16H12O5

Ingredient ID: NPC301351
Formula: C28H32O13

Ingredient ID: NPC30009
Formula: C21H20O7

Ingredient ID: NPC287745
Formula: C20H24O7

Ingredient ID: NPC284876
Formula: C31H26O7

Ingredient ID: NPC279624
Formula: C22H20O8

Ingredient ID: NPC239890
Formula: C22H20O8

Ingredient ID: NPC236606
Formula: C31H30O7

Ingredient ID: NPC226168
Formula: C22H22O8

Ingredient ID: NPC22130
Formula: C21H16O7

Ingredient ID: NPC218109
Formula: C27H30O16

Ingredient ID: NPC216630
Formula: C16H32O2

Ingredient ID: NPC209411
Formula: C22H20O8

Ingredient ID: NPC20790
Formula: C15H10O7

Ingredient ID: NPC197396
Formula: C21H20O12

Ingredient ID: NPC194873
Formula: C22H22O8

Ingredient ID: NPC174734
Formula: C22H18O8

Ingredient ID: NPC166757
Formula: C20H16O6

Ingredient ID: NPC15970
Formula: C21H20O11

Ingredient ID: NPC158270
Formula: C32H28O8

Ingredient ID: NPC150943
Formula: C21H20O8

Ingredient ID: NPC142753
Formula: C35H60O6

Ingredient ID: NPC129930
Formula: C27H26O12

Ingredient ID: NPC117911
Formula: C21H16O8

Ingredient ID: NPC114772
Formula: C36H30O14

Ingredient ID: NPC111929
Formula: C21H20O10

Ingredient ID: NPC111888
Formula: C8H8O4

Ingredient ID: NPC103197
Formula: C21H20O7

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC103197 C21H20O7 (5R,5Ar)-5-(4-Hydroxy-3,5-Dimethoxyphenyl)-5A,8,8A,9-Tetrahydro-5H-[2]Benzofuro[5,6-F][1,3]Benzodioxol-6-One 384.12 -1.0772 3 1.77 2 1 83.45 6 5 28 0
NPC111888 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
NPC111929 C21H20O10 Afzelin 432.11 -3.9318 2.67 0.883 6 6 166.14 10 4 31 1
NPC114772 C36H30O14 3-[4-(5,7-dihydroxy-3-methoxy-4-oxochromen-2-yl)-2-hydroxy-3-(3-methylbut-2-enyl)phenoxy]-2,3,5,7-tetrahydroxy-2-(4-hydroxyphenyl)chromen-4-one 686.1635556 -3.2325 3.88 2.86 5 8 232.9 7 6 50 1
NPC117911 C21H16O8 396.0845175 -1.4064 2.89 1.054 2 2 103.68 7 5 29 0
NPC129930 C27H26O12 Gnf-Pf-349 542.14 -2.693 3.11 0.909 7 4 162.6 12 6 39 0
NPC142753 C35H60O6 (3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 576.4389896 -0.4469 4.65 10.487 6 4 99.38 9 5 41 1
NPC150943 C21H20O8 4'-Demethylpodophyllotoxin 400.12 -1.9091 2.89 0.74 3 2 103.68 7 5 29 0
NPC158270 C32H28O8 540.1784179 -1.46 4.1 3.028 3 3 122.52 3 6 40 0
NPC15970 C21H20O11 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one 448.1005615 -4.3921 2.56 0.349 6 7 186.37 3 4 32 1
NPC166757 C20H16O6 Citrusinol 352.09 -0.9728 3 3.315 2 3 96.22 6 4 26 0
NPC174734 C22H18O8 Dehydropodophyllotoxin 410.1 -0.9979 3 1.573 2 1 92.68 8 5 30 0
NPC194873 C22H22O8 9-hydroxy-5-(3,4,5-trimethoxyphenyl)-3,5,5a,8,8a,9-hexahydro-[2]benzofuro[6,5-f][1,2]benzodioxol-6-one 414.1314677 -0.3533 3 1.381 4 1 92.68 4 5 30 0
NPC197396 C21H20O12 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[2,4,5-trihydroxy-6-(hydroxymethyl)oxan-3-yl]oxychromen-4-one 464.0954761 -4.8921 2.45 -0.783 7 8 206.6 4 4 33 1
NPC20790 C15H10O7 2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-olate 301.0348276 -3.135 2.34 1.381 2 4 130.28 1 3 22 0
NPC209411 C22H20O8 Picropodophyllone 412.12 -1.0923 3 1.212 3 0 89.52 7 5 30 0
NPC216630 C16H32O2 Palmitic Acid 256.24 -3.8977 3 7.57 2 1 37.3 16 0 18 2
NPC218109 C27H30O16 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one 610.1533849 -6.139 2.67 -1.188 11 10 265.52 6 5 43 2
NPC22130 C21H16O7 Diphyllin 380.09 -0.9461 3 2.017 2 1 83.45 6 5 28 0
NPC226168 C22H22O8 (5R,8aS,9R)-5-hydroxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one 414.1314677 -1.5006 3 1.259 3 1 92.68 4 5 30 0
NPC236606 C31H30O7 514.1991533 -1.7361 4.1 3.294 3 4 116.45 2 6 38 0
NPC239890 C22H20O8 Isopicropodophyllone 412.12 -1.0923 3 1.212 3 0 89.52 7 5 30 0
NPC279624 C22H20O8 (5aR,8aS,9S)-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-[2]benzofuro[5,6-f][1,3]benzodioxole-5,8-dione 412.1158176 -1.0923 3 1.212 3 0 89.52 4 5 30 0
NPC284876 C31H26O7 510.1678532 -1.4082 4.1 3.683 3 3 113.29 2 6 38 0
NPC287745 C20H24O7 Dysosmarol 376.15 -2.7887 2.89 0.666 3 4 108.61 12 3 27 0
NPC30009 C21H20O7 4'-Demethyldeoxypodophyllotoxin 384.12 -1.0772 3 1.77 2 1 83.45 6 5 28 0
NPC301351 C28H32O13 5-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one 576.1842911 -3.2475 3.11 0.151 8 4 171.83 7 6 41 0
NPC312929 C16H12O5 Physcion 284.07 -0.858 2.67 1.183 2 2 83.83 5 3 21 0
NPC35412 C32H32O8 544.209718 -1.7879 4.1 2.639 3 4 125.68 3 6 40 0
NPC43696 C7H6O5 4-carboxy-2,6-dihydroxyphenolate 169.0136983 -1.9545 1.68 0.002 2 3 100.82 1 1 12 0
NPC43872 C14H16O9 (2R,3S,4S,10Bs)-3,4,8,10-Tetrahydroxy-2-(Hydroxymethyl)-9-Methoxy-3,4,4A,10B-Tetrahydro-2H-Pyrano[3,2-C]Isochromen-6-One 328.08 -2.8389 2.01 -2.021 6 5 145.91 8 3 23 0
NPC76380 C15H10O6 5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-olate 285.039913 -2.6747 2.45 1.915 2 3 110.05 1 3 21 0
NPC80230 C22H22O7 Desoxypodophyllotoxin 398.14 -0.6687 3.11 2.289 2 0 72.45 7 5 29 0

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1. General Information & structure data (InChi, InChiKey, SMILES)  
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