20 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.



6 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC69394
Formula: C19H18O7

Ingredient ID: NPC47781
Formula: C18H16O7

Ingredient ID: NPC43211
Formula: C21H18O12

Ingredient ID: NPC39642
Formula: C12H16O8

Ingredient ID: NPC311722
Formula: C40H56O3

Ingredient ID: NPC297696
Formula: C23H20O13

Ingredient ID: NPC282169
Formula: C21H18O11

Ingredient ID: NPC269926
Formula: C15H20O5

Ingredient ID: NPC265442
Formula: C12H16O8

Ingredient ID: NPC248172
Formula: C16H22O5

Ingredient ID: NPC238530
Formula: C19H19NO4

Ingredient ID: NPC206442
Formula: C20H15NO4

Ingredient ID: NPC20505
Formula: C21H18O12

Ingredient ID: NPC177845
Formula: C16H16O4

Ingredient ID: NPC166981
Formula: C11H10O5

Ingredient ID: NPC160951
Formula: C18H16O7

Ingredient ID: NPC145379
Formula: C18H16O6

Ingredient ID: NPC139026
Formula: C16H16O4

Ingredient ID: NPC109308
Formula: C13H17NO2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC109308 C13H17NO2 219.1259288 -0.4978 2.56 0.65 3 0 29.54 0 4 16 0
NPC139026 C16H16O4 [(2E,5R,8S)-2-hexa-2,4-diynylidene-1,10-dioxaspiro[4.5]dec-3-en-8-yl] acetate 272.104859 1.3274 2.78 2.952 4 0 44.76 2 2 20 0
NPC145379 C18H16O6 328.0946882 -1.1193 2.78 2.161 1 1 74.22 8 3 24 0
NPC160951 C18H16O7 Eupatorin 344.09 -1.5796 2.67 1.198 1 2 94.45 9 3 25 0
NPC166981 C11H10O5 (Z)-2-[(4-hydroxyphenyl)methyl]but-2-enedioic acid 222.0528234 -0.3182 2.12 1.118 4 3 94.83 4 1 16 0
NPC177845 C16H16O4 272.104859 1.3274 2.78 2.952 4 0 44.76 2 2 20 0
NPC20505 C21H18O12 462.079826 -3.9895 2.45 0.082 12 7 203.44 11 4 33 1
NPC206442 C20H15NO4 333.100108 -0.4783 3.11 3.159 1 0 40.16 0 6 25 0
NPC238530 C19H19NO4 325.13 -0.5108 3 1.956 1 1 51.16 3 5 24 0
NPC248172 C16H22O5 (3aR,6R,6aR,9R,9aR,9bR)-6,9-dihydroxy-6a-methoxy-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2-one 294.1467238 -0.2109 2.67 0.218 5 2 75.99 1 3 21 0
NPC265442 C12H16O8 2-methyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-4-one 288.0845175 -2.7713 1.9 -0.828 8 4 125.68 3 2 20 0
NPC269926 C15H20O5 (3aS,6S,6aS,9S,9aS,9bS)-6,6a,9-trihydroxy-6,9-dimethyl-3-methylidene-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-2-one 280.1310737 -0.6194 2.56 0.128 5 3 86.99 0 3 20 0
NPC282169 C21H18O11 Apigenin-7-O-Beta-D-Glucuronide 446.08 -3.5292 2.56 0.616 7 6 183.21 10 4 32 1
NPC297696 C23H20O13 (2S,3S,4S,5R,6S)-5-acetyloxy-6-[2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid 504.0903907 -3.6104 2.56 0.393 8 6 209.51 6 4 36 1
NPC311722 C40H56O3 (1S,3R,6R)-6-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-18-[(4R)-4-hydroxy-2,6,6-trimethylcyclohexen-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol 584.4229457 7.6798 5.53 9.764 3 2 52.99 10 3 43 1
NPC39642 C12H16O8 6-methyl-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypyran-2-one 288.0845175 -1.9235 1.9 -0.733 8 4 125.68 3 2 20 0
NPC43211 C21H18O12 Scutellarin 462.08 -3.9895 2.45 0.082 7 7 203.44 11 4 33 1
NPC47781 C18H16O7 Cirsileneol 344.09 -1.5796 2.67 1.198 1 2 94.45 9 3 25 0
NPC69394 C19H18O7 5-Hydroxy-6,7,3',4'-Tetramethoxyflavone 358.11 -1.1711 2.78 1.717 1 1 83.45 10 3 26 0

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