19 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.



6 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC81010
Formula: C9H8O3

Ingredient ID: NPC70744
Formula: C10H10O4

Ingredient ID: NPC67377
Formula: C20H14O2

Ingredient ID: NPC3973
Formula: C20H14O3

Ingredient ID: NPC29883
Formula: C7H6O3

Ingredient ID: NPC268470
Formula: C38H22O6

Ingredient ID: NPC245561
Formula: C9H10O3

Ingredient ID: NPC219913
Formula: C7H6O2

Ingredient ID: NPC215019
Formula: C34H30O11

Ingredient ID: NPC186255
Formula: C21H16O4

Ingredient ID: NPC186128
Formula: C19H12O2

Ingredient ID: NPC164014
Formula: C19H12O3

Ingredient ID: NPC157220
Formula: C34H30O11

Ingredient ID: NPC152331
Formula: C21H16O3

Ingredient ID: NPC141704
Formula: C19H12O4

Ingredient ID: NPC137100
Formula: C28H20O6

Ingredient ID: NPC137001
Formula: C40H40O16

Ingredient ID: NPC124569
Formula: C21H16O3

Ingredient ID: NPC111888
Formula: C8H8O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC111888 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
NPC124569 C21H16O3 7,8-dimethoxy-6-phenylphenalen-1-one 316.1099444 -0.0063 3.44 6.224 1 0 35.53 3 4 24 1
NPC137001 C40H40O16 776.2316352 -5.4816 4.1 3.246 10 11 272.59 10 7 56 1
NPC137100 C28H20O6 452.1259884 -1.9878 3.88 5.462 0 5 114.29 9 5 34 1
NPC141704 C19H12O4 9-(3,4-dihydroxyphenyl)-2-hydroxyphenalen-1-one 304.0735589 -1.2797 3.11 5.33 2 3 77.76 1 4 23 1
NPC152331 C21H16O3 2,3-dimethoxy-4-phenylphenalen-1-one 316.1099444 -0.7932 3.44 7.681 3 0 35.53 3 4 24 1
NPC157220 C34H30O11 614.1788118 -3.7347 3.99 4.354 5 8 193.44 7 6 45 1
NPC164014 C19H12O3 288.0786442 -0.8194 3.22 6.075 2 2 57.53 3 4 22 1
NPC186128 C19H12O2 272.0837296 -0.3591 3.33 8.093 2 1 37.3 2 4 21 1
NPC186255 C21H16O4 5-hydroxy-2,6-dimethoxy-7-phenylphenalen-1-one 332.104859 -0.8067 3.33 5.523 2 1 55.76 3 4 25 1
NPC215019 C34H30O11 (2S,3R,4S,5S,6R)-2-[4-[3-(3,5-dihydroxyphenyl)-4-hydroxy-6-[(E)-2-(4-hydroxyphenyl)ethenyl]-1-benzofuran-2-yl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 614.1788118 -3.7347 3.99 4.354 5 8 193.44 7 6 45 1
NPC219913 C7H6O2 4-Hydroxybenzaldehyde 122.04 -0.6527 2.01 1.484 1 1 37.3 2 1 9 0
NPC245561 C9H10O3 Hydroxyphenyl Propionic Acid 166.06 -0.6029 2.12 1.631 2 2 57.53 5 1 12 0
NPC268470 C38H22O6 574.1416384 -1.785 4.98 10.928 4 2 93.06 2 10 44 1
NPC29883 C7H6O3 Paraben 138.03 -0.7001 1.9 1.07 2 2 57.53 3 1 10 0
NPC3973 C20H14O3 5-hydroxy-6-methoxy-7-phenylphenalen-1-one 302.0942943 -0.4148 3.33 5.283 1 1 46.53 2 4 23 1
NPC67377 C20H14O2 286.0993797 -0.2946 3.44 7.985 2 0 26.3 3 4 22 1
NPC70744 C10H10O4 Ferulic Acid 194.06 -0.3908 2.12 1.231 2 2 66.76 6 1 14 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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