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.



5 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC40352
Formula: C20H22O6

Ingredient ID: NPC32614
Formula: C20H22O6

Ingredient ID: NPC301585
Formula: C14H28O2

Ingredient ID: NPC300867
Formula: C21H26O3

Ingredient ID: NPC300732
Formula: C18H28O3

Ingredient ID: NPC230828
Formula: C45H86O6

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC186858
Formula: C20H20O6

Ingredient ID: NPC175611
Formula: C21H22O4

Ingredient ID: NPC149246
Formula: C18H28O4

Ingredient ID: NPC129687
Formula: C20H18O6

Ingredient ID: NPC121259
Formula: C18H28O3

Ingredient ID: NPC10971
Formula: C18H24O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC10971 C18H24O4 304.1674592 -3.1333 3 4.653 1 2 66.76 11 2 22 0
NPC121259 C18H28O3 1-(2,6-Dihydroxyphenyl)Dodecan-1-One 292.2 -3.6903 3.11 6.604 1 2 57.53 14 1 21 2
NPC129687 C20H18O6 Asarinin 354.11 -1.6034 3 2.576 2 0 55.38 2 6 26 0
NPC149246 C18H28O4 308.1987594 -4.1506 3 5.641 1 3 77.76 15 1 22 2
NPC175611 C21H22O4 5,7-dihydroxy-2-(6-phenylhexyl)chromen-4-one 338.1518092 -2.2582 3.33 6.422 1 2 66.76 7 3 25 1
NPC186858 C20H20O6 5-[(3S,3aR,6R,6aR)-6-(1,3-benzodioxol-5-yl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2-methoxyphenol 356.1259884 -1.8128 3 2.13 2 1 66.38 3 5 26 0
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC230828 C45H86O6 2,3-di(tetradecanoyloxy)propyl tetradecanoate 722.6424405 -9.5462 5.75 19.876 6 0 78.9 44 0 51 2
NPC300732 C18H28O3 292.2038448 -3.4116 3.11 4.614 3 1 46.53 8 2 21 0
NPC300867 C21H26O3 326.1881947 -2.5365 3.44 6.383 3 1 46.53 7 3 24 1
NPC301585 C14H28O2 Myristic Acid 228.21 -3.3217 2.78 6.432 2 1 37.3 14 0 16 2
NPC32614 C20H22O6 (2R,3S)-2,3-bis(1,3-benzodioxol-5-ylmethyl)butane-1,4-diol 358.1416384 -1.4726 3 2.6 2 2 77.38 7 4 26 0
NPC40352 C20H22O6 Dihydrocubebin 358.14 -1.4726 3 2.6 2 2 77.38 9 4 26 0

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