34 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: NPC97320
Formula: C15H14O7

Ingredient ID: NPC96820
Formula: C10H12O5

Ingredient ID: NPC88295
Formula: C15H12O7

Ingredient ID: NPC80967
Formula: C30H50

Ingredient ID: NPC67627
Formula: C30H50

Ingredient ID: NPC66826
Formula: C12H12O2

Ingredient ID: NPC66311
Formula: C17H24O10

Ingredient ID: NPC62505
Formula: C22H34O10

Ingredient ID: NPC58466
Formula: C20H22O5

Ingredient ID: NPC50542
Formula: C21H20O4

Ingredient ID: NPC35128
Formula: C15H10O6

Ingredient ID: NPC311907
Formula: C20H30O10

Ingredient ID: NPC30563
Formula: C19H28O10

Ingredient ID: NPC304127
Formula: C21H20O11

Ingredient ID: NPC295295
Formula: C7H8O2

Ingredient ID: NPC280254
Formula: C6H6O3

Ingredient ID: NPC276111
Formula: C10H12O3

Ingredient ID: NPC236202
Formula: C30H26O12

Ingredient ID: NPC229613
Formula: C10H8O3

Ingredient ID: NPC21458
Formula: C10H8O4

Ingredient ID: NPC202507
Formula: C11H10O2

Ingredient ID: NPC18603
Formula: C28H44O

Ingredient ID: NPC184810
Formula: C21H20O4

Ingredient ID: NPC1786
Formula: C9H8O4

Ingredient ID: NPC173637
Formula: C21H20O11

Ingredient ID: NPC17215
Formula: C22H22O12

Ingredient ID: NPC16878
Formula: C10H12O4

Ingredient ID: NPC157431
Formula: C27H44O4

Ingredient ID: NPC154656
Formula: C30H26O12

Ingredient ID: NPC144846
Formula: C15H10O5

Ingredient ID: NPC144441
Formula: C11H22O2

Ingredient ID: NPC127585
Formula: C17H24O10

Ingredient ID: NPC126029
Formula: C15H14O6

Ingredient ID: NPC104738
Formula: C12H20O3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC104738 C12H20O3 (4S,5R,6R)-6-[(E)-but-2-en-2-yl]-4-hydroxy-3,3,5-trimethyloxan-2-one 212.1412445 1.7491 2.45 1.431 3 1 46.53 1 1 15 0
NPC126029 C15H14O6 (-)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC127585 C17H24O10 388.136947 -3.0144 2.23 -1.938 7 5 147.3 5 3 27 0
NPC144441 C11H22O2 (E,3R,4R,5R)-2,4,6-trimethyloct-6-ene-3,5-diol 186.1619799 1.0386 2.45 1.655 2 2 40.46 4 0 13 0
NPC144846 C15H10O5 methyl 8-hydroxy-9-oxoxanthene-1-carboxylate 270.0528234 -0.867 2.56 2.098 3 1 72.83 2 3 20 0
NPC154656 C30H26O12 (2R,3R)-2-(3,4-dihydroxyphenyl)-6-[(2R,3S,4S)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol 578.1424263 -5.1813 3.44 0.165 2 10 220.76 3 6 42 1
NPC157431 C27H44O4 432.3239599 0.1181 3.99 6.494 4 2 58.92 0 6 31 1
NPC16878 C10H12O4 196.0735589 -1.609 2.12 0.811 2 3 77.76 3 1 14 0
NPC17215 C22H22O12 2-(3,4-dihydroxy-5-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one 478.1111261 -4.4439 2.56 -0.095 6 7 195.6 4 4 34 1
NPC173637 C21H20O11 Quercitrin 448.1 -4.3921 2.56 0.349 6 7 186.37 11 4 32 1
NPC1786 C9H8O4 180.0422587 -0.7993 2.01 1.141 2 3 77.76 5 1 13 0
NPC184810 C21H20O4 (2R,4S)-4-(1-hydroxy-8-methoxynaphthalen-2-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol 336.1361591 -1.0009 3.33 4.24 0 2 58.92 2 4 25 0
NPC18603 C28H44O Ergosterol 396.34 2.2555 4.43 9.499 1 1 20.23 11 4 29 1
NPC202507 C11H10O2 8-methoxynaphthalen-1-ol 174.0680796 -0.5121 2.45 2.843 0 1 29.46 1 2 13 0
NPC21458 C10H8O4 5-hydroxy-2-(hydroxymethyl)chromen-4-one 192.0422587 -1.4126 2.12 0.343 2 2 66.76 1 2 14 0
NPC229613 C10H8O3 5-hydroxy-2-methylchromen-4-one 176.0473441 -0.5244 2.23 1.38 1 1 46.53 0 2 13 0
NPC236202 C30H26O12 Procyanidin B2 578.14 -5.1813 3.44 0.165 2 10 220.76 13 6 42 1
NPC276111 C10H12O3 1-(2,6-Dihydroxyphenyl)Butan-1-One 180.08 -1.3863 2.23 2.052 1 2 57.53 6 1 13 0
NPC280254 C6H6O3 Pyrogallol 126.03 -1.3809 1.79 0.765 0 3 60.69 3 1 9 0
NPC295295 C7H8O2 Orcinol 124.05 -0.2786 2.01 1.193 0 2 40.46 3 1 9 0
NPC304127 C21H20O11 2-[3,5-dihydroxy-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]-5,7-dihydroxychromen-4-one 448.1005615 -4.052 2.56 -0.764 5 7 186.37 3 4 32 1
NPC30563 C19H28O10 416.1682471 -3.4425 2.45 0.467 10 6 158.3 13 3 29 1
NPC311907 C20H30O10 (2S,3R,4R,5R,6R)-2-methyl-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-(2-phenylethoxy)oxan-2-yl]methoxy]oxane-3,4,5-triol 430.1838972 -3.1869 2.56 1.247 10 6 158.3 7 3 30 1
NPC35128 C15H10O6 methyl 2,8-dihydroxy-9-oxoxanthene-1-carboxylate 286.047738 -1.3273 2.45 2.118 3 2 93.06 2 3 21 0
NPC50542 C21H20O4 (2R,4S)-4-(4-hydroxy-5-methoxynaphthalen-1-yl)-2-methyl-3,4-dihydro-2H-chromen-5-ol 336.1361591 -1.0009 3.33 4.24 0 2 58.92 2 4 25 0
NPC58466 C20H22O5 342.1467238 -1.8751 3.11 3.449 1 3 86.99 4 3 25 0
NPC62505 C22H34O10 methyl (1S,3R,3aS,8aR)-3-(2-methoxy-2-oxoethyl)-8a-methyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,3a,4,7,8-hexahydro-1H-azulene-6-carboxylate 458.2151973 -1.5536 2.78 0.366 10 4 151.98 8 3 32 0
NPC66311 C17H24O10 388.136947 -3.0144 2.23 -1.938 7 5 147.3 5 3 27 0
NPC66826 C12H12O2 1,8-dimethoxynaphthalene 188.0837296 -0.1036 2.56 3.362 0 0 18.46 2 2 14 0
NPC67627 C30H50 (3R,3aR,5aS,5bR,7aS,11aS,11bR)-3a,5a,5b,8,8,11a-hexamethyl-3-propan-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13-tetradecahydrocyclopenta[a]chrysene 410.3912516 3.272 4.76 13.21 0 0 0 1 5 30 1
NPC80967 C30H50 (3R,5aR,5bR,7aS,11aS,11bR,13aS,13bR)-5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,3,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydrocyclopenta[a]chrysene 410.3912516 3.7263 4.76 13.955 0 0 0 1 5 30 1
NPC88295 C15H12O7 methyl (1R,2R)-1,2,8-trihydroxy-9-oxo-2H-xanthene-1-carboxylate 304.0583027 -1.8297 2.34 0.502 5 3 113.29 2 3 22 0
NPC96820 C10H12O5 212.0684735 -1.2788 2.01 0.855 2 3 86.99 4 1 15 0
NPC97320 C15H14O7 methyl (1R,2R)-1,2,8-trihydroxy-9-oxo-3,4-dihydro-2H-xanthene-1-carboxylate 306.0739528 -2.3299 2.34 0.347 5 3 113.29 2 3 22 0

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