36 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.



21 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC95914
Formula: C21H32O5

Ingredient ID: NPC78406
Formula: C9H10O3

Ingredient ID: NPC67796
Formula: C20H32O4

Ingredient ID: NPC61477
Formula: C15H14O6

Ingredient ID: NPC5447
Formula: C15H10O7

Ingredient ID: NPC48354
Formula: C21H36O3

Ingredient ID: NPC46274
Formula: C15H10O6

Ingredient ID: NPC302857
Formula: C16H18O9

Ingredient ID: NPC300326
Formula: C11H12O5

Ingredient ID: NPC294902
Formula: C9H8O4

Ingredient ID: NPC292198
Formula: C15H10O6.ClH.H2O

Ingredient ID: NPC281930
Formula: C22H34O5

Ingredient ID: NPC281131
Formula: C21H20O12

Ingredient ID: NPC266960
Formula: C17H14O7

Ingredient ID: NPC261619
Formula: C15H14O6

Ingredient ID: NPC250432
Formula: C15H10O7.ClH

Ingredient ID: NPC244694
Formula: C19H22O5

Ingredient ID: NPC226331
Formula: C15H10O6.ClH

Ingredient ID: NPC222768
Formula: C25H30O8

Ingredient ID: NPC219876
Formula: C15H14O6

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC202419
Formula: C13H12O4

Ingredient ID: NPC193238
Formula: C11H9NO3

Ingredient ID: NPC19240
Formula: C30H26O13

Ingredient ID: NPC187671
Formula: C23H30O8

Ingredient ID: NPC176740
Formula: C27H30O16

Ingredient ID: NPC175955
Formula: C9H10O3

Ingredient ID: NPC169749
Formula: C15H10O8

Ingredient ID: NPC167976
Formula: C16H18O9

Ingredient ID: NPC156654
Formula: C7H6O4

Ingredient ID: NPC15658
Formula: C15H14O6

Ingredient ID: NPC137240
Formula: C25H30O8

Ingredient ID: NPC126029
Formula: C15H14O6

Ingredient ID: NPC119090
Formula: C11H12O5

Ingredient ID: NPC1075
Formula: C9H8O4

Ingredient ID: NPC101790
Formula: C9H10O3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC101790 C9H10O3 (4-hydroxy-2-methylphenyl) acetate 166.0629942 0.1005 2.12 1.722 1 1 46.53 2 1 12 0
NPC1075 C9H8O4 (Z)-3-(3,4-Dihydroxyphenyl)Prop-2-Enoic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC119090 C11H12O5 (Z)-3-(4-hydroxy-3,5-dimethoxyphenyl)prop-2-enoic acid 224.0684735 -0.4426 2.12 0.787 2 2 75.99 4 1 16 0
NPC126029 C15H14O6 (-)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC137240 C25H30O8 458.1940679 3.7533 3.33 3.533 8 1 116.2 7 2 33 0
NPC15658 C15H14O6 (-)-Catechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC156654 C7H6O4 Protocatechuic Acid 154.03 -1.1604 1.79 0.536 2 3 77.76 4 1 11 0
NPC167976 C16H18O9 (1S,3R,4R,5R)-3-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-1,4,5-trihydroxycyclohexane-1-carboxylic acid 354.0950822 -2.1962 2.23 -0.447 7 6 164.75 5 2 25 1
NPC169749 C15H10O8 Myricetin 318.04 -3.2615 2.23 0.847 2 6 147.68 7 3 23 1
NPC175955 C9H10O3 methyl 2-(4-hydroxyphenyl)acetate 166.0629942 -0.4143 2.12 1.383 2 1 46.53 3 1 12 0
NPC176740 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
NPC187671 C23H30O8 [(3aS,4S,5S,6E,10E,11aR)-6-formyl-10-methyl-3-methylidene-4-(2-methylpropanoyloxy)-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-5-yl] 2-hydroxy-2-methylpropanoate 434.1940679 1.9614 3.11 1.765 8 1 116.2 7 2 31 0
NPC19240 C30H26O13 Tiliroside 594.14 -4.1618 3.33 2.457 8 7 212.67 15 5 43 1
NPC193238 C11H9NO3 6-Methoxyquinoline-4-Carboxylic Acid 203.06 -0.2916 2.23 1.61 3 1 59.42 4 2 15 0
NPC202419 C13H12O4 2,7-dihydroxy-8-methoxy-6-methylnaphthalene-1-carbaldehyde 232.0735589 -0.5228 2.45 1.65 1 2 66.76 2 2 17 0
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC219876 C15H14O6 Cianidanol 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC222768 C25H30O8 458.1940679 2.71 3.33 2.155 8 1 116.2 8 2 33 0
NPC226331 C15H10O6.ClH Cyanidin Chloride 287.06 -2.6353 2.45 0.742 1 5 103.98 6 3 21 0
NPC244694 C19H22O5 [(3aR,4R,5E,7Z,10Z,11aR)-6-formyl-10-methyl-3-methylidene-2-oxo-3a,4,9,11a-tetrahydrocyclodeca[b]furan-4-yl] 2-methylpropanoate 330.1467238 2.4401 3 2.494 5 0 69.67 4 2 24 0
NPC250432 C15H10O7.ClH Delphinidin Chloride 303.05 -3.0956 2.34 0.208 1 6 124.21 7 3 22 1
NPC261619 C15H14O6 (+)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC266960 C17H14O7 3,6-Dimethoxy Kaempferol 330.07 -2.3282 2.56 1.363 2 3 105.45 8 3 24 0
NPC281131 C21H20O12 Hyperoside 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC281930 C22H34O5 378.2406242 2.8294 3.33 3.818 5 1 72.83 10 1 27 0
NPC292198 C15H10O6.ClH.H2O 2-(3,4-dihydroxyphenyl)chromenylium-3,5,7-triol;chloride;hydrate 287.0555631 -2.6353 2.45 0.742 1 5 103.98 1 3 21 0
NPC294902 C9H8O4 Caffeic Acid 180.04 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC300326 C11H12O5 Sinapinate 224.07 -0.4426 2.12 0.787 2 2 75.99 8 1 16 0
NPC302857 C16H18O9 Chlorogenic Acid 354.1 -2.1962 2.23 -0.447 7 6 164.75 11 2 25 1
NPC46274 C15H10O6 Cyanidin 288.06 -2.3015 2.45 0.742 1 6 101.15 6 3 21 1
NPC48354 C21H36O3 336.266445 1.9749 3.44 4.225 3 2 49.69 8 1 24 0
NPC5447 C15H10O7 Delphinidin 304.06 -2.7618 2.34 0.208 1 7 121.38 7 3 22 1
NPC61477 C15H14O6 Catechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC67796 C20H32O4 336.2300595 2.4503 3.22 3.078 4 2 66.76 8 1 24 0
NPC78406 C9H10O3 2-(4-hydroxyphenyl)propanoate 165.0551691 -0.7391 2.12 1.355 2 1 60.36 2 1 12 0
NPC95914 C21H32O5 364.2249741 2.3806 3.22 3.46 5 1 72.83 9 1 26 0

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