27 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.



7 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC93747
Formula: C21H30O9

Ingredient ID: NPC73964
Formula: C23H24O12

Ingredient ID: NPC71645
Formula: C21H20O12

Ingredient ID: NPC70828
Formula: C20H28O10

Ingredient ID: NPC64398
Formula: C20H28O9

Ingredient ID: NPC54466
Formula: C15H20O4

Ingredient ID: NPC53796
Formula: C21H30O9

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC43143
Formula: C15H12O3

Ingredient ID: NPC37802
Formula: C17H28O2

Ingredient ID: NPC34771
Formula: C15H20O4

Ingredient ID: NPC33664
Formula: C30H50O

Ingredient ID: NPC281131
Formula: C21H20O12

Ingredient ID: NPC280958
Formula: C16H16O3

Ingredient ID: NPC248372
Formula: C17H16O4

Ingredient ID: NPC247922
Formula: C16H18O4

Ingredient ID: NPC246620
Formula: C16H18O4

Ingredient ID: NPC244513
Formula: C15H24O2

Ingredient ID: NPC227458
Formula: C13H20O2

Ingredient ID: NPC218879
Formula: C13H20O2

Ingredient ID: NPC215756
Formula: C15H16O4

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC179950
Formula: C21H20O12

Ingredient ID: NPC159323
Formula: C21H30O8

Ingredient ID: NPC156139
Formula: C15H14O3

Ingredient ID: NPC118284
Formula: C20H18O11

Ingredient ID: NPC113101
Formula: C6H12O6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC113101 C6H12O6 (3S,4R,5R)-1,3,4,5,6-pentahydroxyhexan-2-one 180.0633881 -3.0134 1.46 -3.839 6 5 118.22 5 0 12 0
NPC118284 C20H18O11 Guajaverin 434.08 -4.3814 2.45 -0.111 6 7 186.37 10 4 31 1
NPC156139 C15H14O3 2',4'-Dihydroxydihydrochalcone 242.09 -1.0872 2.78 4.53 1 2 57.53 6 2 18 0
NPC159323 C21H30O8 (3S)-3-hydroxy-2,2,5,7-tetramethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one 410.1940679 -0.5163 2.89 0.516 8 5 136.68 5 3 29 0
NPC179950 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC215756 C15H16O4 260.104859 -1.3079 2.67 2.776 0 3 69.92 4 2 19 0
NPC218879 C13H20O2 208.1463299 -1.5572 2.67 4.15 0 2 40.46 9 1 15 0
NPC227458 C13H20O2 208.1463299 -1.3169 2.67 4.15 0 2 40.46 9 1 15 0
NPC244513 C15H24O2 236.17763 -2.1332 2.89 5.288 0 2 40.46 11 1 17 1
NPC246620 C16H18O4 274.1205091 -0.8994 2.78 3.084 0 2 58.92 9 2 20 0
NPC247922 C16H18O4 274.1205091 -0.8994 2.78 3.295 0 2 58.92 5 2 20 0
NPC248372 C17H16O4 Demethoxymatteucinol 284.1 -0.0701 2.89 2.717 1 2 66.76 5 3 21 0
NPC280958 C16H16O3 1-(4-hydroxy-2-methoxyphenyl)-3-phenylpropan-1-one 256.1099444 -0.6787 2.89 4.62 1 1 46.53 5 2 19 0
NPC281131 C21H20O12 Hyperoside 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC33664 C30H50O 426.3861662 4.0757 4.65 12.022 1 0 17.07 4 4 31 1
NPC34771 C15H20O4 (3R)-3-hydroxy-6-(2-hydroxyethyl)-7-(hydroxymethyl)-2,2,5-trimethyl-3H-inden-1-one 264.1361591 0.1399 2.67 0.281 4 3 77.76 3 2 19 0
NPC37802 C17H28O2 264.2089301 -2.7092 3.11 6.426 0 2 40.46 13 1 19 1
NPC43143 C15H12O3 1-(2,4-dihydroxyphenyl)-3-phenylprop-2-en-1-one 240.0786442 -0.8233 2.78 4.782 1 2 57.53 3 2 18 0
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1
NPC53796 C21H30O9 (3R)-3-hydroxy-5-(hydroxymethyl)-2,2,7-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one 426.1889825 -1.607 2.78 -1.038 9 6 156.91 6 3 30 1
NPC54466 C15H20O4 (3R)-3-hydroxy-6-(2-hydroxyethyl)-5-(hydroxymethyl)-2,2,7-trimethyl-3H-inden-1-one 264.1361591 0.1399 2.67 0.07 4 3 77.76 3 2 19 0
NPC64398 C20H28O9 (2S,3S)-3-hydroxy-5-(hydroxymethyl)-2,7-dimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one 412.1733325 -2.2264 2.67 -1.239 9 6 156.91 6 3 29 1
NPC70828 C20H28O10 (2S,3S)-3-hydroxy-5,7-bis(hydroxymethyl)-2-methyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-2,3-dihydroinden-1-one 428.1682471 -3.3171 2.56 -2.582 10 7 177.14 7 3 30 1
NPC71645 C21H20O12 (2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 466.1111261 -4.5087 2.45 -1.329 6 10 200.53 4 4 33 1
NPC73964 C23H24O12 (2S,3R,4S,5R,6R)-2-[5,7-dihydroxy-2-(4-hydroxy-3,5-dimethoxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 494.1424263 -3.6917 2.67 -1.149 6 8 178.53 6 4 35 1
NPC93747 C21H30O9 (3R)-3-hydroxy-7-(hydroxymethyl)-2,2,5-trimethyl-6-[2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-3H-inden-1-one 426.1889825 -1.607 2.78 -0.827 9 6 156.91 6 3 30 1

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