13 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: NPC83685
Formula: C19H20O6

Ingredient ID: NPC51962
Formula: C18H19NO5

Ingredient ID: NPC34770
Formula: C14H13NO4

Ingredient ID: NPC31981
Formula: C7H16O7

Ingredient ID: NPC302599
Formula: C19H14O6

Ingredient ID: NPC269367
Formula: C12H9NO2

Ingredient ID: NPC261004
Formula: C19H18O8

Ingredient ID: NPC218092
Formula: C20H16O6

Ingredient ID: NPC205372
Formula: C12H9NO3

Ingredient ID: NPC17659
Formula: C19H23NO3

Ingredient ID: NPC166137
Formula: C20H20O6

Ingredient ID: NPC131885
Formula: C13H11NO3

Ingredient ID: NPC113779
Formula: C25H22O6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC113779 C25H22O6 418.1416384 0.9797 3.55 4.181 6 0 63.22 5 5 31 0
NPC131885 C13H11NO3 Gamma-Fagarine 229.07 -0.2577 2.45 2.068 1 0 44.49 4 3 17 0
NPC166137 C20H20O6 356.13 -0.7027 3 2.861 2 1 74.22 7 4 26 0
NPC17659 C19H23NO3 4-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenol 313.1677936 -0.1692 3.11 2.994 1 1 41.93 4 3 23 0
NPC205372 C12H9NO3 Robustine 215.06 -0.6662 2.34 1.549 1 1 55.49 3 3 16 0
NPC218092 C20H16O6 352.09 -0.816 3 2.66 2 0 63.22 1 6 26 0
NPC261004 C19H18O8 Chrysosplenol B 374.1 -1.9715 2.67 1.438 2 2 103.68 11 3 27 0
NPC269367 C12H9NO2 Dictamnine 199.06 -0.2059 2.45 2.723 1 0 35.26 2 3 15 0
NPC302599 C19H14O6 338.0790382 -1.5122 2.89 1.925 6 3 96.22 2 4 25 0
NPC31981 C7H16O7 212.0896029 -3.4509 1.46 -4.568 7 7 141.61 6 0 14 1
NPC34770 C14H13NO4 Skimmianine 259.08 -0.3095 2.45 1.624 1 0 53.72 6 3 19 0
NPC51962 C18H19NO5 329.1263227 0.0653 2.78 1.366 6 1 73.95 6 3 24 0
NPC83685 C19H20O6 (3R,4R)-3-[(3,4-dihydroxyphenyl)methyl]-4-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one 344.1259884 -1.3206 2.89 2.325 2 3 96.22 5 3 25 0

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