14 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.



5 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC9432
Formula: C28H20O10

Ingredient ID: NPC81010
Formula: C9H8O3

Ingredient ID: NPC70799
Formula: C25H24O9

Ingredient ID: NPC42251
Formula: C25H24O9

Ingredient ID: NPC34864
Formula: C14H12O4

Ingredient ID: NPC29883
Formula: C7H6O3

Ingredient ID: NPC291516
Formula: C24H24O10

Ingredient ID: NPC209660
Formula: C9H8O3

Ingredient ID: NPC198141
Formula: C28H22O10

Ingredient ID: NPC163508
Formula: C28H22O7

Ingredient ID: NPC161571
Formula: C14H12O3

Ingredient ID: NPC145145
Formula: C27H22O9

Ingredient ID: NPC114392
Formula: C14H12O5

Ingredient ID: NPC113831
Formula: C25H24O8

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC113831 C25H24O8 (1R,3aS,4R,8bS)-1-(3,4-dihydroxyphenyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-5,7-diol 452.1471177 -2.9399 3.33 1.573 1 5 128.84 4 5 33 0
NPC114392 C14H12O5 260.0684735 -1.8337 2.45 2.157 0 5 101.15 7 2 19 0
NPC145145 C27H22O9 (1R,4aS,9aR)-3-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-6,8,9a-trihydroxy-1-(3,4,5-trihydroxyphenyl)-4,4a-dihydro-1H-fluoren-9-one 490.1263823 -3.3351 3.44 1.358 2 8 178.91 3 5 36 1
NPC161571 C14H12O3 Resveratrol 228.08 -0.9131 2.67 3.436 0 3 60.69 5 2 17 0
NPC163508 C28H22O7 Scirpusin A 470.14 -2.6294 3.77 4.83 0 6 130.61 10 5 35 1
NPC198141 C28H22O10 5-[(2S,3S)-3-(3,5-dihydroxyphenyl)-4-[(E)-2-(3,5-dihydroxyphenyl)ethenyl]-6,7-dihydroxy-2,3-dihydro-1-benzofuran-2-yl]benzene-1,2,3-triol 518.1212969 -4.0103 3.44 2.588 0 9 191.3 4 5 38 1
NPC209660 C9H8O3 164.0473441 -0.7519 2.12 1.222 1 2 57.53 2 1 12 0
NPC291516 C24H24O10 (E)-3-[4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]oxan-2-yl]oxyphenyl]prop-2-enoic acid 472.136947 -1.8159 3 3.055 8 5 162.98 9 3 34 0
NPC29883 C7H6O3 Paraben 138.03 -0.7001 1.9 1.07 2 2 57.53 3 1 10 0
NPC34864 C14H12O4 Piceatannol 244.07 -1.3734 2.56 2.691 0 4 80.92 6 2 18 0
NPC42251 C25H24O9 468.1420323 -2.3347 3.22 1.916 1 5 138.07 6 4 34 0
NPC70799 C25H24O9 5-[(1R,3aS,4R,8bS)-5,7-dihydroxy-4-(4-hydroxy-3,5-dimethoxyphenyl)-3,3a,4,8b-tetrahydro-1H-indeno[1,2-c]furan-1-yl]benzene-1,2,3-triol 468.1420323 -3.4002 3.22 1.039 1 6 149.07 4 5 34 1
NPC81010 C9H8O3 Coumaric Acid 164.05 -0.339 2.12 1.886 2 2 57.53 4 1 12 0
NPC9432 C28H20O10 516.1056468 -3.7865 3.44 1.038 3 8 195.98 4 5 38 1

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