16 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.



8 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC70622
Formula: C15H10O5

Ingredient ID: NPC3224
Formula: C15H12O4

Ingredient ID: NPC312929
Formula: C16H12O5

Ingredient ID: NPC300274
Formula: C14H8O3

Ingredient ID: NPC282923
Formula: C15H10O4

Ingredient ID: NPC278175
Formula: C30H28O8

Ingredient ID: NPC267205
Formula: C15H12O4

Ingredient ID: NPC254847
Formula: C15H10O5

Ingredient ID: NPC121411
Formula: C27H28O13

Ingredient ID: NPC120545
Formula: C14H8O3

Ingredient ID: NPC103540
Formula: C14H8O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC103540 C14H8O4 Danthron 240.04 -1.4482 2.56 1.304 2 2 74.6 2 3 18 0
NPC120545 C14H8O3 224.0473441 -0.9879 2.67 2.689 2 1 54.37 1 3 17 0
NPC121411 C27H28O13 5,7-dihydroxy-6-[(2R,3R,5S,6S)-5-hydroxy-6-methyl-4-oxo-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]-2-(4-hydroxyphenyl)chromen-4-one 560.152991 -4.8336 3 -0.516 9 7 212.67 4 5 40 1
NPC254847 C15H10O5 Emodin 270.05 -1.2665 2.56 0.664 2 3 94.83 4 3 20 0
NPC267205 C15H12O4 Emodin Anthrone 256.07 -0.5465 2.67 1.793 1 3 77.76 4 3 19 0
NPC278175 C30H28O8 (Z)-1-[6-[(3-Acetyl-2,4,6-Trihydroxy-5-Methylphenyl)Methyl]-5,7-Dihydroxy-2,2-Dimethylchromen-8-Yl]-3-Phenylprop-2-En-1-One 516.18 -0.4521 3.88 5.124 2 5 144.52 15 4 38 1
NPC282923 C15H10O4 Chrysophanol 254.06 -0.8062 2.67 1.627 2 2 74.6 3 3 19 0
NPC300274 C14H8O3 224.0473441 -0.9879 2.67 2.689 2 1 54.37 1 3 17 0
NPC312929 C16H12O5 Physcion 284.07 -0.858 2.67 1.183 2 2 83.83 5 3 21 0
NPC3224 C15H12O4 1,8-Dihydroxy-3-Methyl-4A,9A-Dihydroanthracene-9,10-Dione 256.07 -0.4584 2.67 0.487 3 2 74.6 3 3 19 0
NPC70622 C15H10O5 Aloe-Emodin 270.05 -1.8969 2.56 0.284 3 3 94.83 4 3 20 0

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Data Section
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1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties