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.



7 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC99274
Formula: C25H28O9

Ingredient ID: NPC78944
Formula: C22H18O7

Ingredient ID: NPC71074
Formula: C30H48O4

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC30789
Formula: C21H14O7

Ingredient ID: NPC299820
Formula: C21H16O6

Ingredient ID: NPC259733
Formula: C30H48O5

Ingredient ID: NPC239113
Formula: C22H18O7

Ingredient ID: NPC22130
Formula: C21H16O7

Ingredient ID: NPC201012
Formula: C25H30O9

Ingredient ID: NPC184624
Formula: C26H24O11

Ingredient ID: NPC180553
Formula: C23H22O7

Ingredient ID: NPC162099
Formula: C21H14O8

Ingredient ID: NPC158371
Formula: C30H48O5

Ingredient ID: NPC15212
Formula: C21H14O7

Ingredient ID: NPC105609
Formula: C31H32O15

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC105609 C31H32O15 644.1741203 -3.591 3.22 -0.614 10 5 201.29 8 7 46 0
NPC15212 C21H14O7 Neojusticin A 378.07 -0.7367 3 3.017 2 0 72.45 3 6 28 0
NPC158371 C30H48O5 Euscaphic Acid 488.35 0.822 4.21 5.966 5 4 97.99 12 5 35 1
NPC162099 C21H14O8 9-(6-hydroxy-1,3-benzodioxol-5-yl)-4-methoxy-8H-[2]benzofuro[5,6-f][1,3]benzodioxol-6-one 394.0688674 -1.197 2.89 1.5 2 1 92.68 2 6 29 0
NPC180553 C23H22O7 9-(3,4-dimethoxyphenyl)-4,6,7-trimethoxy-3H-benzo[f][2]benzofuran-1-one 410.136553 -0.3385 3.22 2.609 2 0 72.45 6 4 30 0
NPC184624 C26H24O11 512.1318616 -2.3548 3.11 1.109 11 3 142.37 11 6 37 0
NPC201012 C25H30O9 [(2R,3R)-3-(acetyloxymethyl)-2-(1,3-benzodioxol-5-ylmethyl)-4-(4-hydroxy-3,5-dimethoxyphenyl)butyl] acetate 474.1889825 -0.9756 3.22 3.19 4 1 109.75 13 3 34 1
NPC22130 C21H16O7 Diphyllin 380.09 -0.9461 3 2.017 2 1 83.45 6 5 28 0
NPC239113 C22H18O7 Justicidin A 394.11 -0.5376 3.11 2.536 2 0 72.45 7 5 29 0
NPC259733 C30H48O5 Tomentic Acid 488.35 0.822 4.21 5.966 5 4 97.99 12 5 35 1
NPC299820 C21H16O6 4-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1H-benzo[f][2]benzofuran-3-one 364.0946882 -0.4858 3.11 2.98 2 0 63.22 3 5 27 0
NPC30789 C21H14O7 9-(1,3-benzodioxol-5-yl)-5-methoxy-[1]benzofuro[6,5-f][1,3]benzodioxol-8-one 378.0739528 -1.2769 3 1.946 1 0 72.45 2 6 28 0
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1
NPC71074 C30H48O4 Corosolic Acid 472.36 1.2611 4.32 8.142 4 3 77.76 11 5 34 1
NPC78944 C22H18O7 394.1052529 -0.5376 3.11 3.09 2 0 72.45 7 5 29 0
NPC99274 C25H28O9 472.1733325 -1.2983 3.22 2.543 4 1 109.75 9 4 34 0

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