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.



11 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC94123
Formula: C20H31N7O2

Ingredient ID: NPC91678
Formula: C15H24N4O2

Ingredient ID: NPC50898
Formula: C15H10O5

Ingredient ID: NPC49074
Formula: C17H24O9

Ingredient ID: NPC34241
Formula: C27H30O15

Ingredient ID: NPC299605
Formula: C21H20O10

Ingredient ID: NPC291389
Formula: C12H10N2O

Ingredient ID: NPC279121
Formula: C15H10O6

Ingredient ID: NPC269904
Formula: C30H34O17

Ingredient ID: NPC265171
Formula: C14H19NO2

Ingredient ID: NPC263334
Formula: C13H20O3

Ingredient ID: NPC257090
Formula: C21H20O11

Ingredient ID: NPC226746
Formula: C12H12N2O

Ingredient ID: NPC225404
Formula: C6H13NO5

Ingredient ID: NPC224651
Formula: C4H4O4

Ingredient ID: NPC206230
Formula: C29H32O17

Ingredient ID: NPC198658
Formula: C10H16

Ingredient ID: NPC18335
Formula: C5H5N5

Ingredient ID: NPC179787
Formula: C12H10N2

Ingredient ID: NPC179291
Formula: C15H20N4O2

Ingredient ID: NPC178092
Formula: C28H32O16

Ingredient ID: NPC160125
Formula: C13H12N2O

Ingredient ID: NPC156461
Formula: C10H13N5O4

Ingredient ID: NPC154197
Formula: C13H14N2O

Ingredient ID: NPC133671
Formula: C21H20O11

Ingredient ID: NPC125755
Formula: C22H22O11

Ingredient ID: NPC121702
Formula: C16H26N4O2

Ingredient ID: NPC115216
Formula: C21H20O10

Ingredient ID: NPC112701
Formula: C27H30O15

Ingredient ID: NPC111929
Formula: C21H20O10

Ingredient ID: NPC10383
Formula: C14H16NO2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC10383 C14H16NO2 8,9-dimethoxy-2,3-dihydro-1H-pyrrolo[2,1-a]isoquinolin-4-ium 230.1181038 -1.5683 2.67 2.251 0 0 22.34 2 3 17 0
NPC111929 C21H20O10 Afzelin 432.11 -3.9318 2.67 0.883 6 6 166.14 10 4 31 1
NPC112701 C27H30O15 Vicenin-2 594.16 -6.3559 2.78 -2.583 11 11 267.29 16 5 42 2
NPC115216 C21H20O10 (2S,3R,4S,5S,6R)-2-[5,7-dihydroxy-2-(4-hydroxyphenyl)chromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 434.1212969 -3.5881 2.67 -0.261 6 8 160.07 4 4 31 1
NPC121702 C16H26N4O2 306.2055761 -2.035 2.56 2.93 4 4 90.22 12 1 22 1
NPC125755 C22H22O11 464.1318616 -3.6399 2.67 -0.705 11 8 169.3 13 4 33 1
NPC133671 C21H20O11 Astragalin 448.1 -4.4318 2.56 0.18 7 7 186.37 11 4 32 1
NPC154197 C13H14N2O 7-methoxy-1-methyl-3,4-dihydro-2H-pyrido[3,4-b]indole 214.1106131 -0.2203 2.56 0.866 2 1 33.62 1 3 16 0
NPC156461 C10H13N5O4 Adenosine 267.1 -2.2791 1.57 -1.809 9 4 139.54 6 3 19 0
NPC160125 C13H12N2O 7-methoxy-1-methyl-9H-pyrido[3,4-b]indole 212.094963 -0.0327 2.56 2.313 2 1 37.91 1 3 16 0
NPC178092 C28H32O16 624.1690349 -5.4301 2.78 -1.522 11 9 254.52 8 5 44 2
NPC179291 C15H20N4O2 2-[3-(6,7-dimethoxyisoquinolin-1-yl)propyl]guanidine 288.1586259 -0.5939 2.45 1.941 4 3 93.25 7 2 21 0
NPC179787 C12H10N2 Harman 182.08 0.0191 2.56 2.968 2 1 28.68 1 3 14 0
NPC18335 C5H5N5 Adenine 135.05 -1.1703 1.46 -0.664 5 2 80.48 1 2 10 0
NPC198658 C10H16 (3Z)-3,7-dimethylocta-1,3,6-triene 136.1252005 3.2403 2.56 4.314 0 0 0 3 0 10 0
NPC206230 C29H32O17 [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate 652.1639496 -5.4595 2.78 -1.301 12 9 271.59 9 5 46 2
NPC224651 C4H4O4 Fumaric Acid 116.01 -0.2252 1.46 -0.416 4 2 74.6 4 0 8 0
NPC225404 C6H13NO5 2-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]azaniumyl]acetate 179.0793725 -2.493 1.46 -2.89 6 5 110.02 6 0 12 0
NPC226746 C12H12N2O 1-methyl-2,3,4,9-tetrahydropyrido[3,4-b]indol-7-one 200.094963 -0.5483 2.45 1.524 3 2 44.89 0 3 15 0
NPC257090 C21H20O11 (3R,4R,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol 450.1162115 -4.0484 2.56 -0.795 6 9 180.3 4 4 32 1
NPC263334 C13H20O3 (4R)-4-hydroxy-4-[(E,3S)-3-hydroxybut-1-enyl]-3,5,5-trimethylcyclohex-2-en-1-one 224.1412445 0.7559 2.56 0.644 3 2 57.53 2 1 16 0
NPC265171 C14H19NO2 (10bR)-8,9-dimethoxy-1,2,3,5,6,10b-hexahydropyrrolo[2,1-a]isoquinoline 233.1415788 -0.438 2.67 1.83 1 0 21.7 2 3 17 0
NPC269904 C30H34O17 [(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-2-[5-hydroxy-2-(4-hydroxy-3-methoxyphenyl)-4-oxochromen-7-yl]oxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl acetate 666.1795996 -5.051 2.89 -1.211 12 8 260.59 10 5 47 2
NPC279121 C15H10O6 Luteolin 286.05 -2.3448 2.45 1.033 1 4 107.22 5 3 21 0
NPC291389 C12H10N2O Harmol 198.08 -0.8687 2.45 2.112 3 2 44.89 1 3 15 0
NPC299605 C21H20O10 5,7-dihydroxy-2-[4-hydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyphenyl]chromen-4-one 432.1056468 -3.5917 2.67 0.199 5 6 166.14 3 4 31 1
NPC34241 C27H30O15 (2R,3R,4R,5R,6S)-2-[[(2R,3S,4S,5R,6S)-6-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxychromenylium-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methoxy]-6-methyloxane-3,4,5-triol 596.1741203 -5.2953 2.78 -1.629 10 11 239.22 6 5 42 1
NPC49074 C17H24O9 Syringin 372.14 -2.2917 2.34 -0.417 6 5 138.07 14 2 26 0
NPC50898 C15H10O5 Apigenin 270.05 -1.8845 2.56 1.567 1 3 86.99 4 3 20 0
NPC91678 C15H24N4O2 2-[3-[(1S)-6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl]propyl]guanidine 292.189926 -1.3411 2.45 1.408 4 4 92.39 7 2 21 0
NPC94123 C20H31N7O2 2-[3-[4-[4-(diaminomethylideneamino)butyl]-6,7-dimethoxyisoquinolin-1-yl]propyl]guanidine 401.2539232 -1.5654 2.67 2.311 7 6 155.15 13 2 29 2

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