33 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.



10 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: NPC38259
Formula: C31H48O4

Ingredient ID: NPC299605
Formula: C21H20O10

Ingredient ID: NPC289407
Formula: C28H36O4

Ingredient ID: NPC279121
Formula: C15H10O6

Ingredient ID: NPC269904
Formula: C30H34O17

Ingredient ID: NPC265171
Formula: C14H19NO2

Ingredient ID: NPC262473
Formula: C30H46O3

Ingredient ID: NPC249462
Formula: C31H48O4

Ingredient ID: NPC243305
Formula: C29H40O4

Ingredient ID: NPC229747
Formula: C31H50O4

Ingredient ID: NPC225404
Formula: C6H13NO5

Ingredient ID: NPC224651
Formula: C4H4O4

Ingredient ID: NPC209543
Formula: C31H48O5

Ingredient ID: NPC209220
Formula: C31H50O4

Ingredient ID: NPC206230
Formula: C29H32O17

Ingredient ID: NPC18536
Formula: C30H48O5

Ingredient ID: NPC18335
Formula: C5H5N5

Ingredient ID: NPC182179
Formula: C33H50O6

Ingredient ID: NPC179291
Formula: C15H20N4O2

Ingredient ID: NPC178092
Formula: C28H32O16

Ingredient ID: NPC156461
Formula: C10H13N5O4

Ingredient ID: NPC133671
Formula: C21H20O11

Ingredient ID: NPC131684
Formula: C20H24O3

Ingredient ID: NPC127720
Formula: C35H37NO8

Ingredient ID: NPC121702
Formula: C16H26N4O2

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
NPC121702 C16H26N4O2 306.2055761 -2.035 2.56 2.93 4 4 90.22 12 1 22 1
NPC127720 C35H37NO8 599.2519171 -0.3858 4.32 8.389 9 1 121.25 14 6 44 1
NPC131684 C20H24O3 Triptophenolide 312.17 0.6938 3.33 4.396 2 1 46.53 5 4 23 0
NPC133671 C21H20O11 Astragalin 448.1 -4.4318 2.56 0.18 7 7 186.37 11 4 32 1
NPC156461 C10H13N5O4 Adenosine 267.1 -2.2791 1.57 -1.809 9 4 139.54 6 3 19 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
NPC182179 C33H50O6 methyl (1R,4aR,6bR,9R,12aR)-4-acetyloxy-9-(hydroxymethyl)-1,4a,6a,6b,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-2-carboxylate 542.3607393 1.3837 4.43 7.025 6 1 89.9 5 5 39 1
NPC18335 C5H5N5 Adenine 135.05 -1.1703 1.46 -0.664 5 2 80.48 1 2 10 0
NPC18536 C30H48O5 488.3501746 0.6678 4.21 8.606 5 3 86.99 10 6 35 1
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
NPC209220 C31H50O4 methyl (1R,4aR,6bR,10S,12aR)-4,10-dihydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-2-carboxylate 486.3709101 1.5256 4.43 7.595 4 2 66.76 2 5 35 1
NPC209543 C31H48O5 methyl (1R,2R,4S,4aR,6aR,6aS,6bR,8aR,9R,12aR,14bS)-4-hydroxy-9-(hydroxymethyl)-1,4a,6a,6b,9,12a-hexamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-2-carboxylate 500.3501746 1.0046 4.32 6.285 5 2 83.83 3 5 36 1
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
NPC229747 C31H50O4 methyl (2S,4aR,6bR,10S,12aR)-4,10-dihydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylate 486.3709101 1.8077 4.43 7.288 4 2 66.76 2 5 35 1
NPC243305 C29H40O4 Dihydrocelastrol 452.29 2.0007 4.21 7.878 2 3 77.76 10 5 33 1
NPC249462 C31H48O4 methyl (1R,2R,4S,4aR,6aR,6aS,6bR,12aR,14bR)-4-hydroxy-1,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-1,2,3,4,5,6,6a,7,8,8a,11,12,13,14b-tetradecahydropicene-2-carboxylate 484.35526 2.0953 4.43 6.988 4 1 63.6 2 5 35 1
NPC262473 C30H46O3 454.3446953 2.1657 4.43 7.787 3 1 46.53 0 6 33 1
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
NPC289407 C28H36O4 (2R,4aS,6aS,6aS,14aS,14bR)-10-hydroxy-2,4a,6a,6a,14a-pentamethyl-11-oxo-1,3,4,5,6,13,14,14b-octahydropicene-2-carboxylic acid 436.2613596 2.0367 4.1 7.799 4 2 74.6 1 5 32 1
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
NPC38259 C31H48O4 methyl (2S,4aR,6bR,12aR)-4-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-10-oxo-3,4,5,6,6a,7,8,8a,11,12,13,14b-dodecahydro-1H-picene-2-carboxylate 484.35526 2.3774 4.43 6.681 4 1 63.6 2 5 35 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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