23 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.



11 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC88278
Formula: C6H12O6

Ingredient ID: NPC8198
Formula: C28H32O15

Ingredient ID: NPC79056
Formula: C28H34O15

Ingredient ID: NPC75532
Formula: C10H17NO9S2

Ingredient ID: NPC74881
Formula: C15H10O7

Ingredient ID: NPC56671
Formula: C29H50O

Ingredient ID: NPC308326
Formula: C21H20O11

Ingredient ID: NPC293908
Formula: C6H14O6

Ingredient ID: NPC286233
Formula: C3H4O3

Ingredient ID: NPC275394
Formula: C27H30O15

Ingredient ID: NPC27532
Formula: C15H12O6

Ingredient ID: NPC26974
Formula: C29H60

Ingredient ID: NPC241838
Formula: C16H12O6

Ingredient ID: NPC224651
Formula: C4H4O4

Ingredient ID: NPC209296
Formula: C28H32O15

Ingredient ID: NPC1940
Formula: C15H12O5

Ingredient ID: NPC182541
Formula: C5H12O5

Ingredient ID: NPC172763
Formula: C15H12O6

Ingredient ID: NPC1591
Formula: C7H16NO2

Ingredient ID: NPC140364
Formula: C21H22O8

Ingredient ID: NPC136014
Formula: C5H14NO

Ingredient ID: NPC125732
Formula: C8H11NO

Ingredient ID: NPC107135
Formula: C6H7NO3S

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC107135 C6H7NO3S 4-Azaniumylbenzenesulfonate 173.01 -1.2914 1.57 -0.015 4 2 88.77 3 1 11 0
NPC125732 C8H11NO Tyramine 137.08 -0.943 2.12 1.104 1 2 46.25 4 1 10 0
NPC136014 C5H14NO Choline 104.11 -1.5741 1.79 -0.837 1 1 20.23 6 0 7 0
NPC140364 C21H22O8 2-(3,4-dimethoxyphenyl)-3,5,7,8-tetramethoxychromen-4-one 402.1314677 -1.1545 2.89 2.476 2 0 81.68 7 3 29 0
NPC1591 C7H16NO2 Acetylcholine 146.12 -1.195 1.9 -0.097 2 0 26.3 8 0 10 0
NPC172763 C15H12O6 (2S,3S)-2-(3,4-dihydroxyphenyl)-3,7-dihydroxy-2,3-dihydrochromen-4-one 288.0633881 -2.4666 2.45 0.991 2 4 107.22 1 3 21 0
NPC182541 C5H12O5 152.07 -2.4295 1.46 -3.224 5 5 101.15 9 0 10 0
NPC1940 C15H12O5 272.0684735 -2.0063 2.56 1.525 2 3 86.99 4 3 20 0
NPC209296 C28H32O15 Diosmin 608.17 -4.9301 2.89 -0.819 10 8 234.29 17 5 43 1
NPC224651 C4H4O4 Fumaric Acid 116.01 -0.2252 1.46 -0.416 4 2 74.6 4 0 8 0
NPC241838 C16H12O6 Kaempferide 300.06 -1.9324 2.56 2.434 2 3 96.22 6 3 22 0
NPC26974 C29H60 408.4695019 -7.6734 4.65 16.841 0 0 0 28 0 29 2
NPC27532 C15H12O6 Fustin 288.06 -2.4666 2.45 0.991 2 4 107.22 5 3 21 0
NPC275394 C27H30O15 594.1584703 -5.3386 2.78 -0.909 10 9 245.29 6 5 42 1
NPC286233 C3H4O3 88.01604399 -0.4937 1.46 -0.426 3 1 54.37 3 0 6 0
NPC293908 C6H14O6 182.0790382 -2.9402 1.46 -3.896 6 6 121.38 11 0 12 1
NPC308326 C21H20O11 2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 448.1005615 -4.0917 2.56 -0.075 6 7 186.37 4 4 32 1
NPC56671 C29H50O 414.3861662 0.9006 4.54 11.595 1 1 20.23 6 4 30 1
NPC74881 C15H10O7 Robinetin 302.04 -2.8012 2.34 1.81 2 5 127.45 6 3 22 0
NPC75532 C10H17NO9S2 [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxybut-3-enimidothioate 359.0344731 -1.1946 1.24 -1.84 8 5 199.79 7 1 22 0
NPC79056 C28H34O15 Hesperidin 610.19 -4.86 2.89 -1.489 10 8 234.29 17 5 43 1
NPC8198 C28H32O15 608.1741203 -4.9301 2.89 -0.819 10 8 234.29 7 5 43 1
NPC88278 C6H12O6 Inositol 180.06 -3.0642 1.46 -1.458 6 6 121.38 6 1 12 1

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