22 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: NPC62811
Formula: C18H14O8

Ingredient ID: NPC41943
Formula: C50H88O7

Ingredient ID: NPC304309
Formula: C28H48O

Ingredient ID: NPC283533
Formula: C27H44O7

Ingredient ID: NPC266255
Formula: C44H78O2

Ingredient ID: NPC260268
Formula: C27H44O7

Ingredient ID: NPC259660
Formula: C34H58O6

Ingredient ID: NPC243728
Formula: C35H60O6

Ingredient ID: NPC233172
Formula: C45H80O2

Ingredient ID: NPC228423
Formula: C27H44O7

Ingredient ID: NPC219876
Formula: C15H14O6

Ingredient ID: NPC209177
Formula: C51H90O7

Ingredient ID: NPC203031
Formula: C51H90O7

Ingredient ID: NPC200855
Formula: C14H18O9

Ingredient ID: NPC189016
Formula: C18H14O8

Ingredient ID: NPC171137
Formula: C27H44O6

Ingredient ID: NPC164390
Formula: C30H48O3

Ingredient ID: NPC159362
Formula: C29H50O

Ingredient ID: NPC146728
Formula: C28H48O

Ingredient ID: NPC126029
Formula: C15H14O6

Ingredient ID: NPC123036
Formula: C25H22O12

Ingredient ID: NPC115094
Formula: C44H78O2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC115094 C44H78O2 638.6001817 -1.3125 6.08 19.416 2 0 26.3 21 4 46 2
NPC123036 C25H22O12 (3R,4R,5R)-5-[(2S,3R)-4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carbonyl]oxy-3,4-dihydroxycyclohexene-1-carboxylic acid 514.1111261 -2.6769 2.89 0.232 8 7 211.28 7 4 37 1
NPC126029 C15H14O6 (-)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC146728 C28H48O 400.3705162 1.9762 4.43 11.026 1 1 20.23 5 4 29 1
NPC159362 C29H50O (3S,8R,9R,10R,13R,14R,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
NPC164390 C30H48O3 456.3603454 2.5427 4.43 10.891 3 2 57.53 2 5 33 1
NPC171137 C27H44O6 Ponasterone A 464.31 -0.7591 3.77 2.592 6 5 118.22 15 4 33 0
NPC189016 C18H14O8 (2R,3R)-4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid 358.0688674 -1.8486 2.56 0.935 4 5 144.52 4 3 26 0
NPC200855 C14H18O9 methyl 4-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxybenzoate 330.0950822 -2.6563 2.01 -0.68 7 5 145.91 5 2 23 0
NPC203031 C51H90O7 814.6686552 -3.7356 6.3 18.448 7 3 105.45 25 5 58 2
NPC209177 C51H90O7 [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate 814.6686552 -3.7356 6.3 18.448 7 3 105.45 25 5 58 2
NPC219876 C15H14O6 Cianidanol 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC228423 C27H44O7 (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,5R)-2,3,5-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one 480.3087037 -1.5254 3.66 0.929 7 6 138.45 5 4 34 1
NPC233172 C45H80O2 652.6158318 -1.9887 6.19 19.985 2 0 26.3 22 4 47 2
NPC243728 C35H60O6 Daucosterol 576.44 -0.4469 4.65 10.487 6 4 99.38 19 5 41 1
NPC259660 C34H58O6 562.4233396 0.2293 4.54 9.918 6 4 99.38 8 5 40 1
NPC260268 C27H44O7 20-Hydroxyecdysone 480.31 -1.1982 3.66 1.049 7 6 138.45 16 4 34 1
NPC266255 C44H78O2 638.6001817 -1.3125 6.08 19.416 2 0 26.3 21 4 46 2
NPC283533 C27H44O7 (2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R,6S)-2,3,7-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one 480.3087037 -1.6473 3.66 0.827 7 6 138.45 6 4 34 1
NPC304309 C28H48O 400.3705162 1.9762 4.43 11.026 1 1 20.23 12 4 29 1
NPC41943 C50H88O7 [(2R,3S,4S,5R,6R)-6-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-3,4,5-trihydroxyoxan-2-yl]methyl hexadecanoate 800.6530052 -3.0594 6.19 17.879 7 3 105.45 24 5 57 2
NPC62811 C18H14O8 (2S,3R)-4-[(E)-2-carboxyethenyl]-2-(3,4-dihydroxyphenyl)-7-hydroxy-2,3-dihydro-1-benzofuran-3-carboxylic acid 358.0688674 -1.8486 2.56 0.935 4 5 144.52 4 3 26 0

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