17 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.



7 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC34864
Formula: C14H12O4

Ingredient ID: NPC3224
Formula: C15H12O4

Ingredient ID: NPC30432
Formula: C22H22O10

Ingredient ID: NPC301164
Formula: C10H12O3

Ingredient ID: NPC282923
Formula: C15H10O4

Ingredient ID: NPC278329
Formula: C21H20O9

Ingredient ID: NPC267205
Formula: C15H12O4

Ingredient ID: NPC254848
Formula: C15H10O5

Ingredient ID: NPC254847
Formula: C15H10O5

Ingredient ID: NPC248573
Formula: C14H12O3

Ingredient ID: NPC242712
Formula: C11H10O3

Ingredient ID: NPC234689
Formula: C20H22O8

Ingredient ID: NPC171156
Formula: C13H15NO8

Ingredient ID: NPC161571
Formula: C14H12O3

Ingredient ID: NPC146837
Formula: C21H20O9

Ingredient ID: NPC115022
Formula: C21H24O8

Ingredient ID: NPC105591
Formula: C28H24O13

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC105591 C28H24O13 568.1216908 -3.5648 3.11 0.912 13 7 220.51 14 5 41 1
NPC115022 C21H24O8 404.1471177 -2.2515 2.89 2.847 5 5 128.84 12 3 29 0
NPC146837 C21H20O9 416.1107322 -2.5531 2.78 0.519 7 5 153.75 9 4 30 0
NPC161571 C14H12O3 Resveratrol 228.08 -0.9131 2.67 3.436 0 3 60.69 5 2 17 0
NPC171156 C13H15NO8 (2S)-2-[(2R,3R,4R,5S,6R)-6-hydroperoxy-3,4,5-trihydroxyoxan-2-yl]oxy-2-(4-hydroxyphenyl)acetonitrile 313.0797664 -2.2024 1.9 -0.512 8 5 152.63 4 2 22 0
NPC234689 C20H22O8 (2S,3S,4S,5S,6S)-2-[3-hydroxy-5-[(E)-2-(4-hydroxyphenyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 390.1314677 -2.66 2.78 2.328 5 6 139.84 5 3 28 1
NPC242712 C11H10O3 190.0629942 0.1176 2.34 1.703 1 1 46.53 3 2 14 0
NPC248573 C14H12O3 Cis-Resveratrol 228.08 -0.9131 2.67 3.436 0 3 60.69 5 2 17 0
NPC254847 C15H10O5 Emodin 270.05 -1.2665 2.56 0.664 2 3 94.83 4 3 20 0
NPC254848 C15H10O5 3,8-dihydroxy-6-methyl-9,10-dioxoanthracen-1-olate 269.0449984 -1.6003 2.56 0.664 2 2 97.66 0 3 20 0
NPC267205 C15H12O4 Emodin Anthrone 256.07 -0.5465 2.67 1.793 1 3 77.76 4 3 19 0
NPC278329 C21H20O9 416.1107322 -2.5531 2.78 0.519 7 5 153.75 9 4 30 0
NPC282923 C15H10O4 Chrysophanol 254.06 -0.8062 2.67 1.627 2 2 74.6 3 3 19 0
NPC301164 C10H12O3 4-methoxy-3,5-dimethylbenzoic acid 180.0786442 0.9924 2.23 1.813 2 1 46.53 2 1 13 0
NPC30432 C22H22O10 446.1212969 -2.6049 2.78 0.075 10 5 162.98 11 4 32 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
NPC34864 C14H12O4 Piceatannol 244.07 -1.3734 2.56 2.691 0 4 80.92 6 2 18 0

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