18 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.



9 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC80471
Formula: C11H16O3

Ingredient ID: NPC78326
Formula: C18H16O7

Ingredient ID: NPC76336
Formula: C10H8O4

Ingredient ID: NPC67396
Formula: C25H28O6

Ingredient ID: NPC35038
Formula: C21H22O6

Ingredient ID: NPC302107
Formula: C9H6O4

Ingredient ID: NPC286963
Formula: C24H24O9

Ingredient ID: NPC284229
Formula: C15H26O2

Ingredient ID: NPC273831
Formula: C30H36O6

Ingredient ID: NPC272471
Formula: C10H10O4

Ingredient ID: NPC236769
Formula: C19H18O7

Ingredient ID: NPC225665
Formula: C15H20O4

Ingredient ID: NPC215846
Formula: C25H26O6

Ingredient ID: NPC210459
Formula: C30H36O6

Ingredient ID: NPC208198
Formula: C15H26O2

Ingredient ID: NPC188871
Formula: C17H14O7

Ingredient ID: NPC145879
Formula: C29H48O2

Ingredient ID: NPC142167
Formula: C15H26O2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC142167 C15H26O2 238.1932801 0.2753 2.89 3.13 2 2 40.46 0 3 17 0
NPC145879 C29H48O2 7-Oxositosterol 428.37 1.0285 4.43 9.499 2 1 37.3 13 4 31 1
NPC188871 C17H14O7 3,7-O-Dimethylquercetin 330.07 -2.3282 2.56 1.792 2 3 105.45 8 3 24 0
NPC208198 C15H26O2 238.1932801 -0.009 2.89 2.414 2 2 40.46 6 2 17 0
NPC210459 C30H36O6 Nymphaeol C 492.25 2.7123 4.1 5.125 1 4 107.22 17 3 36 1
NPC215846 C25H26O6 422.1729386 0.7213 3.55 3.05 1 3 96.22 4 4 31 0
NPC225665 C15H20O4 (+)-Abscisic Acid 264.14 1.783 2.67 0.878 4 2 74.6 9 1 19 0
NPC236769 C19H18O7 Retusin 358.11 -1.5112 2.78 2.401 2 1 83.45 10 3 26 0
NPC272471 C10H10O4 194.0579088 -0.3908 2.12 1.231 2 2 66.76 6 1 14 0
NPC273831 C30H36O6 (2S)-2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-6-[(2E,6E)-3,7,11-trimethyldodeca-2,6,10-trienyl]-2,3-dihydrochromen-4-one 492.2511889 2.0671 4.1 5.477 1 4 107.22 9 3 36 1
NPC284229 C15H26O2 (3R,3aS,6S,7R,9aS)-1,1,7-trimethyl-3,4,5,6,8,9,9a,10-octahydro-2H-tricyclo[6.3.1.0^{1,5}]dodecane-3,6-diol 238.1932801 0.2753 2.89 3.13 2 2 40.46 0 3 17 0
NPC286963 C24H24O9 456.1420323 -1.4718 3.11 0.891 3 2 112.91 3 5 33 0
NPC302107 C9H6O4 5,7-Dihydroxycoumarin 178.03 -0.6506 2.01 0.569 1 2 66.76 2 2 13 0
NPC35038 C21H22O6 370.1416384 0.0112 3.11 1.923 1 3 96.22 10 3 27 0
NPC67396 C25H28O6 Nymphaeol B 424.19 0.8349 3.55 3.655 1 4 107.22 13 3 31 0
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC78326 C18H16O7 Pachypodol 344.09 -1.9197 2.67 1.882 2 2 94.45 9 3 25 0
NPC80471 C11H16O3 196.1099444 0.9505 2.34 0.952 3 1 46.53 4 2 14 0

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