7 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.



5 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC96655
Formula: C17H20O10

Ingredient ID: NPC76336
Formula: C10H8O4

Ingredient ID: NPC25013
Formula: C15H24O3

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC173637
Formula: C21H20O11

Ingredient ID: NPC148835
Formula: C11H10O5

Ingredient ID: NPC111929
Formula: C21H20O10

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC111929 C21H20O10 Afzelin 432.11 -3.9318 2.67 0.883 6 6 166.14 10 4 31 1
NPC148835 C11H10O5 Fraxidin 222.05 -0.2939 2.12 0.644 1 1 64.99 5 2 16 0
NPC173637 C21H20O11 Quercitrin 448.1 -4.3921 2.56 0.349 6 7 186.37 11 4 32 1
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC25013 C15H24O3 (3E,4S)-3-decylidene-4-hydroxy-5-methylideneoxolan-2-one 252.1725446 -1.778 2.78 4.664 3 1 46.53 8 1 18 0
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC96655 C17H20O10 6,7-dimethoxy-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-2-one 384.1056468 -2.0408 2.23 -0.464 6 4 144.14 5 3 27 0

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