32 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.



24 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC87306
Formula: C18H24O4

Ingredient ID: NPC78008
Formula: C20H26O6

Ingredient ID: NPC52923
Formula: C20H28O5

Ingredient ID: NPC473455
Formula: C20H26O6

Ingredient ID: NPC473248
Formula: C18H24O4

Ingredient ID: NPC41296
Formula: C123H80O78

Ingredient ID: NPC38569
Formula: C19H26O4

Ingredient ID: NPC275507
Formula: C18H22O4

Ingredient ID: NPC259364
Formula: C82H54O52

Ingredient ID: NPC245789
Formula: C24H22O14

Ingredient ID: NPC235279
Formula: C24H22O15

Ingredient ID: NPC235260
Formula: C21H18O13

Ingredient ID: NPC233437
Formula: C21H30O6

Ingredient ID: NPC225710
Formula: C7H6O5

Ingredient ID: NPC219966
Formula: C19H28O5

Ingredient ID: NPC215412
Formula: C24H22O14

Ingredient ID: NPC214694
Formula: C18H24O5

Ingredient ID: NPC21302
Formula: C18H26O5

Ingredient ID: NPC207641
Formula: C21H30O6

Ingredient ID: NPC179950
Formula: C21H20O12

Ingredient ID: NPC178134
Formula: C14H6O8

Ingredient ID: NPC17326
Formula: C19H28O5

Ingredient ID: NPC168579
Formula: C21H20O11

Ingredient ID: NPC163615
Formula: C20H26O5

Ingredient ID: NPC155873
Formula: C20H24O6

Ingredient ID: NPC153570
Formula: C20H26O6

Ingredient ID: NPC147707
Formula: C20H29NO5

Ingredient ID: NPC134454
Formula: C19H28O5

Ingredient ID: NPC133671
Formula: C21H20O11

Ingredient ID: NPC126029
Formula: C15H14O6

Ingredient ID: NPC11666
Formula: C21H18O12

Ingredient ID: NPC11396
Formula: C18H26O5

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC11396 C18H26O5 (+)-Miliusane Iv 322.18 1.1239 2.89 1.503 5 2 83.83 9 2 23 0
NPC11666 C21H18O12 (2S,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 462.079826 -4.3296 2.45 0.337 8 7 203.44 4 4 33 1
NPC126029 C15H14O6 (-)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC133671 C21H20O11 Astragalin 448.1 -4.4318 2.56 0.18 7 7 186.37 11 4 32 1
NPC134454 C19H28O5 (+)-Miliusane Ii 336.19 1.5324 3 1.593 5 1 72.83 10 2 24 0
NPC147707 C20H29NO5 363.204573 1.4004 3 1.767 6 2 96.19 11 2 26 0
NPC153570 C20H26O6 (+)-Miliusane Xvii 362.17 1.3886 3 1.52 6 1 89.9 11 2 26 0
NPC155873 C20H24O6 (+)-Miliusane Xvi 360.16 1.4531 3 1.068 6 0 86.74 10 2 26 0
NPC163615 C20H26O5 (+)-Miliusate 346.18 2.34 3.11 2.996 5 0 69.67 10 2 25 0
NPC168579 C21H20O11 Kuromanin 450.12 -4.0484 2.56 -0.795 6 9 180.3 12 4 32 1
NPC17326 C19H28O5 (+)-Miliusane I 336.19 1.5324 3 1.593 5 1 72.83 10 2 24 0
NPC178134 C14H6O8 Ellagic Acid 302.01 -2.0234 2.12 -0.046 2 4 133.52 4 4 22 0
NPC179950 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC207641 C21H30O6 (+)-Miliusane Vi 378.2 1.9115 3.11 2.333 6 0 78.9 12 2 27 0
NPC21302 C18H26O5 (+)-Miliusane Iii 322.18 1.1239 2.89 1.503 5 2 83.83 9 2 23 0
NPC214694 C18H24O5 (+)-Miliusane X/Xi 320.16 0.2507 2.89 0.925 5 1 76.13 8 3 23 0
NPC215412 C24H22O14 3-[[(2R,3S,4S,5R,6S)-6-[5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid 534.1009554 -4.2676 2.56 0.272 10 7 229.74 8 4 38 1
NPC219966 C19H28O5 (+)-Miliusane Xviii 336.19 1.6029 3 2.186 5 2 83.83 14 1 24 0
NPC225710 C7H6O5 Gallic Acid 170.02 -1.6207 1.68 0.002 2 4 97.99 5 1 12 0
NPC233437 C21H30O6 (+)-Miliusane Vii 378.2 1.9115 3.11 2.333 6 0 78.9 12 2 27 0
NPC235260 C21H18O13 Quercetin Glucuronide 478.07 -4.7899 2.34 -0.197 8 8 223.67 12 4 34 1
NPC235279 C24H22O15 3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid 550.09587 -4.7279 2.45 -0.262 10 8 249.97 8 4 39 1
NPC245789 C24H22O14 3-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-3-oxopropanoic acid 536.1166054 -3.8842 2.56 -0.703 9 9 223.67 8 4 38 1
NPC259364 C82H54O52 1870.158112 -14.8376 4.76 -1.754 22 29 877.36 8 16 134 2
NPC275507 C18H22O4 (+)-Miliusane Viii 302.15 2.0735 3 1.983 4 0 60.44 7 2 22 0
NPC38569 C19H26O4 (-)-Miliusane Xix 318.18 2.3694 3.11 2.775 4 0 52.6 11 2 23 0
NPC41296 C123H80O78 2804.229343 -22.1033 6.41 -3.095 33 43 1310.54 13 24 201 3
NPC473248 C18H24O4 304.17 2.1184 3 2.454 4 1 63.6 10 2 22 0
NPC473455 C20H26O6 (+)-Miliusane Xiv/Xv 362.17 0.8834 3 1.011 6 1 89.9 11 2 26 0
NPC52923 C20H28O5 (+)-Miliusane Ix 348.19 2.1998 3.11 3.467 5 1 72.83 11 2 25 0
NPC78008 C20H26O6 (+)-Miliusane Xii/Xiii 362.17 0.6298 3 1.665 6 0 82.2 10 3 26 0
NPC87306 C18H24O4 (+)-Miliusol 304.17 1.9609 3 2.256 4 1 63.6 8 2 22 0

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