21 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.



8 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC96989
Formula: C20H28O3

Ingredient ID: NPC63774
Formula: C20H24O4

Ingredient ID: NPC63724
Formula: C20H28O2

Ingredient ID: NPC49168
Formula: C30H50O

Ingredient ID: NPC34555
Formula: C20H26O3

Ingredient ID: NPC311113
Formula: C41H66O2

Ingredient ID: NPC307580
Formula: C20H24O3

Ingredient ID: NPC299164
Formula: C20H26O3

Ingredient ID: NPC267119
Formula: C40H64O2

Ingredient ID: NPC257191
Formula: C30H50O2

Ingredient ID: NPC254509
Formula: C31H52O

Ingredient ID: NPC251770
Formula: C32H52O2

Ingredient ID: NPC235260
Formula: C21H18O13

Ingredient ID: NPC2261
Formula: C20H26O4

Ingredient ID: NPC179950
Formula: C21H20O12

Ingredient ID: NPC176740
Formula: C27H30O16

Ingredient ID: NPC173637
Formula: C21H20O11

Ingredient ID: NPC14974
Formula: C27H28O18

Ingredient ID: NPC121744
Formula: C30H50O

Ingredient ID: NPC107704
Formula: C31H50O

Ingredient ID: NPC101853
Formula: C20H24O3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC101853 C20H24O3 312.1725446 1.5192 3.33 4.79 3 0 43.37 0 5 23 0
NPC107704 C31H50O 438.39 3.2027 4.76 11.758 1 0 17.07 12 5 32 1
NPC121744 C30H50O 426.3861662 2.5187 4.65 10.259 1 1 20.23 13 4 31 1
NPC14974 C27H28O18 (2S,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxo-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid 640.1275641 -6.5368 2.45 -1.305 13 11 302.82 7 5 45 2
NPC173637 C21H20O11 Quercitrin 448.1 -4.3921 2.56 0.349 6 7 186.37 11 4 32 1
NPC176740 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
NPC179950 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC2261 C20H26O4 330.1831093 1.0472 3.22 4.222 4 1 63.6 0 5 24 0
NPC235260 C21H18O13 Quercetin Glucuronide 478.07 -4.7899 2.34 -0.197 8 8 223.67 12 4 34 1
NPC251770 C32H52O2 468.3967309 2.9333 4.76 12.869 2 0 26.3 7 5 34 1
NPC254509 C31H52O 440.4 2.633 4.76 12.365 1 1 20.23 13 5 32 1
NPC257191 C30H50O2 442.38 1.841 4.54 9.936 2 2 40.46 13 5 32 1
NPC267119 C40H64O2 [(3S,5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-yl] (2E,4E)-deca-2,4-dienoate 576.4906313 4.5108 5.64 15.376 2 0 26.3 12 4 42 2
NPC299164 C20H26O3 314.1881947 0.9507 3.33 4.599 3 0 43.37 0 5 23 0
NPC307580 C20H24O3 312.1725446 1.5169 3.33 4.045 3 0 43.37 0 5 23 0
NPC311113 C41H66O2 590.5062814 3.274 5.75 16.786 2 0 26.3 13 5 43 2
NPC34555 C20H26O3 (4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-1,2,4a,5,6,10a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-3,9-dione 314.1881947 2.1809 3.33 2.913 3 0 43.37 0 4 23 0
NPC49168 C30H50O Cycloeucalenol 426.39 1.9488 4.65 11.97 1 1 20.23 12 5 31 1
NPC63724 C20H28O2 (4aR,10aR,11aR,11bR)-4,4,8,11b-tetramethyl-2,3,4a,5,6,10a,11,11a-octahydro-1H-naphtho[2,1-f][1]benzofuran-9-one 300.2089301 2.1843 3.44 6.027 2 0 26.3 0 4 22 1
NPC63774 C20H24O4 328.1674592 0.9438 3.22 2.859 4 1 63.6 0 5 24 0
NPC96989 C20H28O3 316.2038448 0.5424 3.33 4.546 3 1 46.53 0 5 23 0

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