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.



9 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC96294
Formula: C16H18O9

Ingredient ID: NPC76336
Formula: C10H8O4

Ingredient ID: NPC46864
Formula: C5H11NO2

Ingredient ID: NPC299452
Formula: C27H30O17

Ingredient ID: NPC298858
Formula: C28H38O9

Ingredient ID: NPC275932
Formula: C6H12O6

Ingredient ID: NPC274533
Formula: C15H16O9

Ingredient ID: NPC265547
Formula: C10H8O3

Ingredient ID: NPC247553
Formula: C9H6O3

Ingredient ID: NPC220521
Formula: C28H38O10

Ingredient ID: NPC206762
Formula: C22H32O4

Ingredient ID: NPC206264
Formula: C15H16O9

Ingredient ID: NPC19455
Formula: C22H30O4

Ingredient ID: NPC182783
Formula: C12H18O10

Ingredient ID: NPC17544
Formula: C30H42O11

Ingredient ID: NPC139891
Formula: C9H6O2

Ingredient ID: NPC139548
Formula: C10H8O4

Ingredient ID: NPC137949
Formula: C9H6O4

Ingredient ID: NPC133567
Formula: C22H22O12

Ingredient ID: NPC110899
Formula: C9H10O5

Ingredient ID: NPC106849
Formula: C18H26O16

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC106849 C18H26O16 498.1220848 -4.5363 1.68 -3.594 16 8 251.36 4 4 34 2
NPC110899 C9H10O5 Syringic Acid 198.05 -0.8037 1.9 0.182 2 2 75.99 7 1 14 0
NPC133567 C22H22O12 478.1111261 -4.1435 2.56 -0.948 6 7 195.6 5 4 34 1
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
NPC139891 C9H6O2 Coumarin 146.04 0.27 2.23 2.706 1 0 26.3 0 2 11 0
NPC17544 C30H42O11 578.2727122 -0.1193 3.55 2.689 11 1 151.73 10 4 41 1
NPC182783 C12H18O10 322.0899968 -2.8916 1.68 -2.214 10 5 155.14 1 3 22 0
NPC19455 C22H30O4 358.2144094 0.3428 3.44 3.531 4 0 60.44 2 4 26 0
NPC206264 C15H16O9 Esculin 340.08 -2.3975 2.12 -0.539 6 5 145.91 8 3 24 0
NPC206762 C22H32O4 360.2300595 0.3305 3.44 3.944 4 1 63.6 2 4 26 0
NPC220521 C28H38O10 534.2464974 -0.2515 3.44 1.808 10 1 142.5 8 4 38 0
NPC247553 C9H6O3 Umbelliferone 162.03 -0.1903 2.12 1.532 1 1 46.53 1 2 12 0
NPC265547 C10H8O3 Herniarin 176.05 0.2182 2.23 2.051 1 0 35.53 2 2 13 0
NPC274533 C15H16O9 6-hydroxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one 340.0794321 -2.3975 2.12 -0.539 6 5 145.91 3 3 24 0
NPC275932 C6H12O6 (2R,3S,4S,5R)-2,3,4,5,6-pentahydroxyhexanal 180.0633881 -2.7906 1.46 -3.325 6 5 118.22 5 0 12 0
NPC298858 C28H38O9 518.2515828 0.2011 3.55 3.043 9 0 122.27 8 4 37 0
NPC299452 C27H30O17 626.1482995 -6.2989 2.56 -2.575 11 11 285.75 7 5 44 2
NPC46864 C5H11NO2 carboxymethyl(trimethyl)azanium 118.0868036 -1.5786 1.68 -0.746 2 1 37.3 2 0 8 0
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC96294 C16H18O9 Scopolin 354.1 -1.989 2.23 -0.02 6 4 134.91 9 3 25 0

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