11 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: NPC69670
Formula: C17H18O4

Ingredient ID: NPC235736
Formula: C24H32O4

Ingredient ID: NPC227160
Formula: C21H22O6

Ingredient ID: NPC21867
Formula: C21H26O5

Ingredient ID: NPC195986
Formula: C14H25NO

Ingredient ID: NPC171928
Formula: C20H18O6

Ingredient ID: NPC129687
Formula: C20H18O6

Ingredient ID: NPC128238
Formula: C26H41NO

Ingredient ID: NPC128208
Formula: C20H24O5

Ingredient ID: NPC119949
Formula: C11H12O3

Ingredient ID: NPC114845
Formula: C20H24O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC114845 C20H24O4 328.17 1.9986 3.22 5.53 2 0 44.76 11 2 24 1
NPC119949 C11H12O3 Elemicin 192.08 0.6742 2.34 2.486 0 0 27.69 4 2 14 0
NPC128208 C20H24O5 Nectandrin B 344.16 -1.0123 3.11 2.93 1 2 68.15 10 3 25 0
NPC128238 C26H41NO 383.3188149 -1.1664 4.1 11.777 2 1 32.59 16 1 28 2
NPC129687 C20H18O6 Asarinin 354.11 -1.6034 3 2.576 2 0 55.38 2 6 26 0
NPC171928 C20H18O6 Sesamin 354.11 -1.6034 3 2.576 2 0 55.38 2 6 26 0
NPC195986 C14H25NO Pellitorin 223.19 0.5505 2.78 4.887 2 1 32.59 12 0 16 0
NPC21867 C21H26O5 358.1780239 -0.6038 3.22 3.449 1 1 57.15 11 3 26 0
NPC227160 C21H22O6 370.1416384 -1.4043 3.11 2.649 2 0 55.38 6 5 27 0
NPC235736 C24H32O4 384.2300595 0.8466 3.66 7.806 4 0 44.76 13 2 28 2
NPC69670 C17H18O4 286.12 1.5164 2.89 4.452 2 0 44.76 8 2 21 0

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