21 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.



11 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC98661
Formula: C16H12O8

Ingredient ID: NPC84265
Formula: C21H20O12

Ingredient ID: NPC77858
Formula: C15H10O8

Ingredient ID: NPC76336
Formula: C10H8O4

Ingredient ID: NPC73738
Formula: C9H6O4

Ingredient ID: NPC39192
Formula: C16H22O9

Ingredient ID: NPC303713
Formula: C15H18O9

Ingredient ID: NPC294902
Formula: C9H8O4

Ingredient ID: NPC272237
Formula: C23H24O13

Ingredient ID: NPC265547
Formula: C10H8O3

Ingredient ID: NPC26183
Formula: C17H14O8

Ingredient ID: NPC247553
Formula: C9H6O3

Ingredient ID: NPC245014
Formula: C21H20O13

Ingredient ID: NPC240722
Formula: C11H10O4

Ingredient ID: NPC225710
Formula: C7H6O5

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC185922
Formula: C22H22O13

Ingredient ID: NPC148061
Formula: C17H24O9

Ingredient ID: NPC140201
Formula: C13H16O8

Ingredient ID: NPC139548
Formula: C10H8O4

Ingredient ID: NPC137949
Formula: C9H6O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC137949 C9H6O4 Esculetin 178.03 -0.6506 2.01 0.998 1 2 66.76 2 2 13 0
NPC139548 C10H8O4 Isoscopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC140201 C13H16O8 4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid 300.0845175 -2.447 2.01 -0.038 7 5 136.68 4 2 21 0
NPC148061 C17H24O9 methyl 3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate 372.1420323 -2.1506 2.34 0.189 7 4 134.91 8 2 26 0
NPC185922 C22H22O13 2-(3,4-dihydroxyphenyl)-5,6-dihydroxy-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 494.1060408 -4.9439 2.45 -0.369 7 8 215.83 5 4 35 1
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC225710 C7H6O5 Gallic Acid 170.02 -1.6207 1.68 0.002 2 4 97.99 5 1 12 0
NPC240722 C11H10O4 Scoparone 206.06 0.1664 2.23 1.607 1 0 44.76 4 2 15 0
NPC245014 C21H20O13 480.0903907 -5.0084 2.34 -0.261 13 9 226.83 13 4 34 1
NPC247553 C9H6O3 Umbelliferone 162.03 -0.1903 2.12 1.532 1 1 46.53 1 2 12 0
NPC26183 C17H14O8 5,6,7-trihydroxy-2-(4-hydroxy-3-methoxyphenyl)-3-methoxychromen-4-one 346.0688674 -2.7885 2.45 1.258 2 4 125.68 3 3 25 0
NPC265547 C10H8O3 Herniarin 176.05 0.2182 2.23 2.051 1 0 35.53 2 2 13 0
NPC272237 C23H24O13 5,6-dihydroxy-2-(3-hydroxy-4-methoxyphenyl)-3-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 508.1216908 -4.5354 2.56 -0.279 7 7 204.83 6 4 36 1
NPC294902 C9H8O4 Caffeic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC303713 C15H18O9 [(2R,3S,4S,5R,6R)-3,4,5,6-tetrahydroxyoxan-2-yl]methyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 342.0950822 -2.7037 2.12 -0.165 7 6 156.91 5 2 24 1
NPC39192 C16H22O9 3-[4-methoxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoic acid 358.1263823 -2.4016 2.23 -0.132 7 5 145.91 7 2 25 0
NPC73738 C9H6O4 Daphnetin 178.03 -0.6506 2.01 0.998 1 2 66.76 2 2 13 0
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC77858 C15H10O8 Quercetagetin 318.04 -3.2615 2.23 1.276 2 6 147.68 7 3 23 1
NPC84265 C21H20O12 464.0954761 -4.5481 2.45 0.273 12 8 206.6 12 4 33 1
NPC98661 C16H12O8 332.0532173 -2.853 2.34 0.937 2 5 136.68 8 3 24 0

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