23 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.



12 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC81010
Formula: C9H8O3

Ingredient ID: NPC6984
Formula: C8H8O2

Ingredient ID: NPC68533
Formula: C11H14O6

Ingredient ID: NPC51146
Formula: C11H6O3

Ingredient ID: NPC4796
Formula: C11H14O5

Ingredient ID: NPC28862
Formula: C29H50O2

Ingredient ID: NPC273309
Formula: C22H24O8

Ingredient ID: NPC260557
Formula: C13H20O6

Ingredient ID: NPC259221
Formula: C19H24O6

Ingredient ID: NPC257188
Formula: C14H12O3

Ingredient ID: NPC247829
Formula: C29H50O2

Ingredient ID: NPC239029
Formula: C24H30O8

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC229375
Formula: C18H20O6

Ingredient ID: NPC219913
Formula: C7H6O2

Ingredient ID: NPC211131
Formula: C18H20O6

Ingredient ID: NPC203719
Formula: C8H8O3

Ingredient ID: NPC188278
Formula: C25H24O6

Ingredient ID: NPC145879
Formula: C29H48O2

Ingredient ID: NPC14359
Formula: C25H24O6

Ingredient ID: NPC13007
Formula: C14H12O3

Ingredient ID: NPC111888
Formula: C8H8O4

Ingredient ID: NPC101020
Formula: C20H26O6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC101020 C20H26O6 362.1729386 -1.4258 3 2.156 2 3 88.38 8 2 26 0
NPC111888 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
NPC13007 C14H12O3 Sesalin 228.08 1.1778 2.67 2.932 1 0 35.53 2 3 17 0
NPC14359 C25H24O6 420.1572885 0.9007 3.55 3.903 1 3 96.22 3 4 31 0
NPC145879 C29H48O2 7-Oxositosterol 428.37 1.0285 4.43 9.499 2 1 37.3 13 4 31 1
NPC188278 C25H24O6 420.1572885 0.9007 3.55 3.903 1 3 96.22 3 4 31 0
NPC203719 C8H8O3 Vanillin 152.05 -0.7045 2.01 1.04 1 1 46.53 4 1 11 0
NPC211131 C18H20O6 332.1259884 -1.6718 2.78 1.762 2 2 77.38 4 3 24 0
NPC219913 C7H6O2 4-Hydroxybenzaldehyde 122.04 -0.6527 2.01 1.484 1 1 37.3 2 1 9 0
NPC229375 C18H20O6 4-[(4S,5S)-4-(4-hydroxy-3-methoxyphenyl)-1,3-dioxan-5-yl]-2-methoxyphenol 332.1259884 -1.6718 2.78 1.762 2 2 77.38 4 3 24 0
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC239029 C24H30O8 446.1940679 -0.6676 3.22 3.636 4 1 100.52 12 2 32 1
NPC247829 C29H50O2 (3S,7S,8S,9S,10R,13R,14S,17R)-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]phenanthrene-3,7-diol 430.3810808 0.7269 4.43 9.776 2 2 40.46 6 4 31 1
NPC257188 C14H12O3 Xanthyletin 228.08 1.1778 2.67 2.932 1 0 35.53 2 3 17 0
NPC259221 C19H24O6 4-[(1R,2S)-1-ethoxy-3-hydroxy-1-(4-hydroxy-3-methoxyphenyl)propan-2-yl]-2-methoxyphenol 348.1572885 -1.6308 2.89 1.739 2 3 88.38 8 2 25 0
NPC260557 C13H20O6 272.1259884 -1.3751 2.23 -0.477 3 3 88.38 7 1 19 0
NPC273309 C22H24O8 [4-[(4R,5R)-4-(4-acetyloxy-3-methoxyphenyl)-1,3-dioxan-5-yl]-2-methoxyphenyl] acetate 416.1471177 -0.9136 3 3.242 4 0 89.52 8 3 30 0
NPC28862 C29H50O2 7Beta-Hydroxysitosterol 430.38 0.7269 4.43 9.776 2 2 40.46 14 4 31 1
NPC4796 C11H14O5 3-Hydroxy-1-(4-Hydroxy-3,5-Dimethoxyphenyl)Propan-1-One 226.08 -1.2416 2.12 -0.432 2 2 75.99 9 1 16 0
NPC51146 C11H6O3 Psoralen 186.03 0.1159 2.34 2.134 1 0 39.44 0 3 14 0
NPC68533 C11H14O6 (2R)-2,3-dihydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)propan-1-one 242.0790382 -1.8938 2.01 -1.196 3 3 96.22 5 1 17 0
NPC6984 C8H8O2 4-Hydroxyacetophenone 136.05 -0.7142 2.12 1.335 1 1 37.3 3 1 10 0
NPC81010 C9H8O3 Coumaric Acid 164.05 -0.339 2.12 1.886 2 2 57.53 4 1 12 0

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