28 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.



15 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC96354
Formula: C56H92O22

Ingredient ID: NPC91234
Formula: C17H11NO8

Ingredient ID: NPC85661
Formula: C17H11NO7

Ingredient ID: NPC81218
Formula: C20H23NO4.HI

Ingredient ID: NPC81010
Formula: C9H8O3

Ingredient ID: NPC79549
Formula: C15H22O4

Ingredient ID: NPC69213
Formula: C16H9NO3

Ingredient ID: NPC46679
Formula: C16H9NO6

Ingredient ID: NPC32977
Formula: C9H8O3

Ingredient ID: NPC296742
Formula: C17H11NO4

Ingredient ID: NPC290613
Formula: C29H50O

Ingredient ID: NPC29
Formula: C29H50O

Ingredient ID: NPC282685
Formula: C17H11NO8

Ingredient ID: NPC264726
Formula: C4H4N4O3

Ingredient ID: NPC249045
Formula: C29H50O

Ingredient ID: NPC240684
Formula: C17H11NO8

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC220089
Formula: C38H44N2O6

Ingredient ID: NPC210434
Formula: C18H13NO3

Ingredient ID: NPC171882
Formula: C16H9NO7

Ingredient ID: NPC153556
Formula: C4H6N4O3

Ingredient ID: NPC142753
Formula: C35H60O6

Ingredient ID: NPC121510
Formula: C16H9NO7

Ingredient ID: NPC12053
Formula: C20H23NO4

Ingredient ID: NPC112676
Formula: C16H9NO4

Ingredient ID: NPC111888
Formula: C8H8O4

Ingredient ID: NPC110899
Formula: C9H10O5

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC110899 C9H10O5 Syringic Acid 198.05 -0.8037 1.9 0.182 2 2 75.99 7 1 14 0
NPC111888 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
NPC112676 C16H9NO4 279.05 -0.8446 2.67 2.086 2 2 71.28 2 5 21 0
NPC12053 C20H23NO4 342.1705332 -1.9843 3.11 1.008 0 2 58.92 8 4 25 0
NPC121510 C16H9NO7 Aristolochic Acid Iii 327.04 -0.3427 2.34 2.271 2 2 119.13 5 4 24 0
NPC142753 C35H60O6 (3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 576.4389896 -0.4469 4.65 10.487 6 4 99.38 9 5 41 1
NPC153556 C4H6N4O3 Allantoin 158.04 -0.2279 1.13 -0.469 7 5 121.29 5 1 11 0
NPC171882 C16H9NO7 Aristolochic Acid C 327.04 -0.3427 2.34 2.06 2 2 119.13 5 4 24 0
NPC210434 C18H13NO3 Lysicamine 291.09 -0.3674 3 3.348 2 0 48.42 4 4 22 0
NPC220089 C38H44N2O6 4-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2-[4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenol 624.3199371 -0.0322 4.76 6.043 2 1 72.86 10 6 46 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC240684 C17H11NO8 Aristolochic D 357.05 -0.3945 2.34 1.616 2 2 128.36 7 4 26 0
NPC249045 C29H50O (3S,8R,9R,10S,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
NPC264726 C4H4N4O3 (2,5-dioxoimidazol-4-yl)urea 156.02834 -1.0189 1.13 0.159 7 4 118.13 2 1 11 0
NPC282685 C17H11NO8 8-hydroxy-9-methoxy-6-nitronaphtho[2,1-g][1,3]benzodioxole-5-carboxylic acid 357.0484663 -0.3945 2.34 1.616 2 2 128.36 3 4 26 0
NPC29 C29H50O (3S)-17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
NPC290613 C29H50O 17-(5-ethyl-6-methylheptan-2-yl)-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
NPC296742 C17H11NO4 Aristolactam I 293.07 -0.4361 2.78 2.816 2 1 60.28 3 5 22 0
NPC32977 C9H8O3 164.0473441 -0.339 2.12 1.886 2 2 57.53 4 1 12 0
NPC46679 C16H9NO6 311.042987 0.1176 2.45 3.867 2 1 98.9 4 4 23 0
NPC69213 C16H9NO3 Aristolactam Ii 263.06 -0.3843 2.78 3.893 2 1 51.05 1 5 20 0
NPC79549 C15H22O4 (3As,6R,6Ar,9R,9As,9Bs)-6,9-Dihydroxy-6,9-Dimethyl-3-Methylenedecahydroazuleno[4,5-B]Furan-2(9Bh)-One 266.15 -0.1369 2.67 1.207 4 2 66.76 4 3 19 0
NPC81010 C9H8O3 Coumaric Acid 164.05 -0.339 2.12 1.886 2 2 57.53 4 1 12 0
NPC81218 C20H23NO4.HI 341.1627082 -2.3181 3.11 1.008 0 1 61.75 8 4 25 0
NPC85661 C17H11NO7 Aristolochic Acid 341.05 0.0658 2.45 2.79 2 1 108.13 6 4 25 0
NPC91234 C17H11NO8 7-Hydroxy Aristolochic A 357.05 -0.3945 2.34 1.616 2 2 128.36 7 4 26 0
NPC96354 C56H92O22 1116.608025 -5.4892 5.2 2.839 22 12 335.06 13 10 78 3

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1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties