25 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: NPC98518
Formula: C21H22O12

Ingredient ID: NPC70259
Formula: C23H25NO

Ingredient ID: NPC271118
Formula: C15H26O

Ingredient ID: NPC268342
Formula: C15H14O7

Ingredient ID: NPC264779
Formula: C15H26O

Ingredient ID: NPC25389
Formula: C20H22O12

Ingredient ID: NPC226716
Formula: C18H18O2

Ingredient ID: NPC225710
Formula: C7H6O5

Ingredient ID: NPC219876
Formula: C15H14O6

Ingredient ID: NPC219416
Formula: C10H13N

Ingredient ID: NPC21019
Formula: C21H24O13

Ingredient ID: NPC208957
Formula: C13H16O10

Ingredient ID: NPC195912
Formula: C56H38O31

Ingredient ID: NPC190036
Formula: C15H26O

Ingredient ID: NPC180432
Formula: C25H32O13

Ingredient ID: NPC178857
Formula: C20H20O13

Ingredient ID: NPC168829
Formula: C18H18O2

Ingredient ID: NPC142569
Formula: C30H52O

Ingredient ID: NPC138942
Formula: C18H22O2

Ingredient ID: NPC128457
Formula: C33H44O4

Ingredient ID: NPC122889
Formula: C56H38O31

Ingredient ID: NPC115739
Formula: C20H20O13

Ingredient ID: NPC108455
Formula: C13H16O10

Ingredient ID: NPC104222
Formula: C41H32O26

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC104222 C41H32O26 Pentagalloyl Glucose 940.12 -7.5719 3.11 0.697 11 15 444.18 31 6 67 3
NPC108455 C13H16O10 Beta-Glucogallin 332.07 -3.5251 1.79 -1.304 7 7 177.14 11 2 23 1
NPC115739 C20H20O13 468.0903907 -3.919 2.23 0.375 8 8 223.67 7 3 33 1
NPC122889 C56H38O31 1206.139704 -10.1749 4.21 -1.977 11 20 545.33 2 11 87 2
NPC128457 C33H44O4 2-[[(1R,4aR,7R,8aR)-7-(2-hydroxypropan-2-yl)-1,4a-dimethyl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-yl]oxy]-4-prop-2-enyl-6-(4-prop-2-enylphenoxy)phenol 504.3239599 1.9195 4.65 9.752 1 2 58.92 9 4 37 1
NPC138942 C18H22O2 5,5'-Dipropylbiphenyl-2,2'-Diol 270.16 -1.2692 3.22 6.178 0 2 40.46 9 2 20 1
NPC142569 C30H52O (2S)-2-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propan-1-ol 428.4018163 2.2566 4.65 13.248 1 1 20.23 2 5 31 1
NPC168829 C18H18O2 Honokiol 266.13 1.1368 3.22 5.024 0 2 40.46 7 2 20 1
NPC178857 C20H20O13 468.0903907 -3.919 2.23 0.375 8 8 223.67 7 3 33 1
NPC180432 C25H32O13 540.1842911 -2.1488 2.78 0.485 6 3 160.83 12 3 38 1
NPC190036 C15H26O 2-[(2R,4aR,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol 222.1983655 1.5816 3 4.785 1 1 20.23 1 2 16 0
NPC195912 C56H38O31 1206.139704 -10.1749 4.21 -1.977 11 20 545.33 2 11 87 2
NPC208957 C13H16O10 3,4-dihydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoic acid 332.0743467 -3.3676 1.79 -1.535 7 7 177.14 4 2 23 1
NPC21019 C21H24O13 [(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(4-hydroxy-3,5-dimethoxyphenoxy)oxan-2-yl]methyl 3,4,5-trihydroxybenzoate 484.1216908 -3.7828 2.34 -0.733 6 7 204.83 8 3 34 1
NPC219416 C10H13N 4-methyl-5,6,7,8-tetrahydroquinoline 147.1047994 0.384 2.45 2.919 1 0 12.89 0 2 11 0
NPC219876 C15H14O6 Cianidanol 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC225710 C7H6O5 Gallic Acid 170.02 -1.6207 1.68 0.002 2 4 97.99 5 1 12 0
NPC226716 C18H18O2 4-prop-2-enyl-2-(3-prop-2-enylphenoxy)phenol 266.1306798 1.443 3.22 6.122 0 1 29.46 6 2 20 1
NPC25389 C20H22O12 454.1111261 -3.731 2.34 -0.289 12 7 195.6 15 3 32 1
NPC264779 C15H26O Beta-Eudesmol 222.2 0.6981 3 4.83 1 1 20.23 5 2 16 0
NPC268342 C15H14O7 Gallocatechin 306.07 -2.9543 2.34 -0.128 1 6 130.61 7 3 22 1
NPC271118 C15H26O 2-[(2R,4aR)-4a-methyl-8-methylidene-1,2,3,4,5,6,7,8a-octahydronaphthalen-2-yl]propan-2-ol 222.1983655 0.6981 3 4.83 1 1 20.23 1 2 16 0
NPC70259 C23H25NO (+)-Mahanimbicine 331.19 2.7573 3.77 6.343 1 1 25.02 7 4 25 1
NPC98518 C21H22O12 466.1111261 -4.6738 2.45 -1.509 7 8 206.6 4 4 33 1

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