20 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.



10 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC73416
Formula: C15H10O4

Ingredient ID: NPC57552
Formula: C16H12O3

Ingredient ID: NPC53206
Formula: C15H10O4

Ingredient ID: NPC44437
Formula: C14H8O4

Ingredient ID: NPC29883
Formula: C7H6O3

Ingredient ID: NPC294226
Formula: C14H8O4

Ingredient ID: NPC272361
Formula: C16H12O4

Ingredient ID: NPC267198
Formula: C11H10O2

Ingredient ID: NPC261117
Formula: C18H22O11

Ingredient ID: NPC243702
Formula: C9H8O3

Ingredient ID: NPC238629
Formula: C14H8O5

Ingredient ID: NPC226279
Formula: C18H22O11

Ingredient ID: NPC225710
Formula: C7H6O5

Ingredient ID: NPC221546
Formula: C16H22O11

Ingredient ID: NPC203719
Formula: C8H8O3

Ingredient ID: NPC1786
Formula: C9H8O4

Ingredient ID: NPC160777
Formula: C15H10O4

Ingredient ID: NPC139891
Formula: C9H6O2

Ingredient ID: NPC1397
Formula: C15H10O5

Ingredient ID: NPC120545
Formula: C14H8O3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC120545 C14H8O3 224.0473441 -0.9879 2.67 2.689 2 1 54.37 1 3 17 0
NPC1397 C15H10O5 1,3-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione 270.0528234 -1.8969 2.56 1.564 3 3 94.83 1 3 20 0
NPC139891 C9H6O2 Coumarin 146.04 0.27 2.23 2.706 1 0 26.3 0 2 11 0
NPC160777 C15H10O4 254.0579088 -1.0397 2.67 2.245 2 1 63.6 3 3 19 0
NPC1786 C9H8O4 180.0422587 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC203719 C8H8O3 Vanillin 152.05 -0.7045 2.01 1.04 1 1 46.53 4 1 11 0
NPC221546 C16H22O11 (1S,4aS,7R,7aS)-7-hydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,7a-dihydro-1H-cyclopenta[c]pyran-4-carboxylic acid 390.1162115 -3.8808 2.01 -2.872 11 7 186.37 5 3 27 2
NPC225710 C7H6O5 Gallic Acid 170.02 -1.6207 1.68 0.002 2 4 97.99 5 1 12 0
NPC226279 C18H22O11 414.1162115 -2.7572 2.23 -1.59 11 4 161.21 6 4 29 1
NPC238629 C14H8O5 Purpurin 256.04 -1.9085 2.45 1.192 2 3 94.83 3 3 19 0
NPC243702 C9H8O3 3-(4-hydroxyphenyl)prop-2-enoic acid 164.0473441 -0.339 2.12 1.886 2 2 57.53 2 1 12 0
NPC261117 C18H22O11 Asperuloside 414.12 -2.7572 2.23 -1.59 11 4 161.21 11 4 29 1
NPC267198 C11H10O2 4-methoxynaphthalen-1-ol 174.0680796 -0.5121 2.45 2.843 0 1 29.46 1 2 13 0
NPC272361 C16H12O4 1,3-dimethoxyanthracene-9,10-dione 268.0735589 -0.6312 2.78 2.764 2 0 52.6 2 3 20 0
NPC294226 C14H8O4 Athraquinones A 240.04 -1.4482 2.56 2.155 2 2 74.6 2 3 18 0
NPC29883 C7H6O3 Paraben 138.03 -0.7001 1.9 1.07 2 2 57.53 3 1 10 0
NPC44437 C14H8O4 Xanthopurpurin 240.04 -1.4482 2.56 1.726 2 2 74.6 2 3 18 0
NPC53206 C15H10O4 Rubiadin 254.06 -0.8062 2.67 1.838 2 2 74.6 3 3 19 0
NPC57552 C16H12O3 252.0786442 0.0626 2.89 3.32 2 0 43.37 3 3 19 0
NPC73416 C15H10O4 1-Hydroxy-2-Methoxyanthracene-9,10-Dione 254.06 -1.0397 2.67 2.245 2 1 63.6 3 3 19 0

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