21 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.



8 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC89422
Formula: C15H32

Ingredient ID: NPC88566
Formula: C10H14

Ingredient ID: NPC71853
Formula: C10H12O

Ingredient ID: NPC3649
Formula: C10H16

Ingredient ID: NPC34764
Formula: C10H16

Ingredient ID: NPC31279
Formula: C10H10O2

Ingredient ID: NPC292792
Formula: C11H14O2

Ingredient ID: NPC287331
Formula: C10H18O

Ingredient ID: NPC26906
Formula: C10H18O

Ingredient ID: NPC246165
Formula: C10H16

Ingredient ID: NPC213749
Formula: C10H16

Ingredient ID: NPC204120
Formula: C12H16O3

Ingredient ID: NPC166362
Formula: C10H16

Ingredient ID: NPC138113
Formula: C10H16

Ingredient ID: NPC119949
Formula: C11H12O3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC119949 C11H12O3 Elemicin 192.08 0.6742 2.34 2.486 0 0 27.69 4 2 14 0
NPC138113 C10H16 Myrcene 136.13 3.0936 2.56 4.17 0 0 0 6 0 10 0
NPC166362 C10H16 136.1252005 1.3875 2.56 4.024 0 0 0 2 2 10 0
NPC204120 C12H16O3 208.1099444 0.8733 2.45 2.559 0 0 27.69 8 1 15 0
NPC213749 C10H16 136.1252005 2.4017 2.56 3.852 0 0 0 4 1 10 0
NPC246165 C10H16 136.1252005 1.0301 2.56 4.222 0 0 0 3 2 10 0
NPC26906 C10H18O 2-(4-Methylcyclohex-3-En-1-Yl)Propan-2-Ol 154.14 1.1223 2.45 2.369 1 1 20.23 5 1 11 0
NPC287331 C10H18O Eucalyptol 154.14 1.3109 2.45 2.595 1 0 9.23 3 0 11 0
NPC292792 C11H14O2 Methyleugenol 178.1 0.9251 2.45 3.003 0 0 18.46 6 1 13 0
NPC31279 C10H10O2 Safrole 162.07 0.726 2.34 2.93 0 0 18.46 2 2 12 0
NPC34764 C10H16 1-Methyl-4-Prop-1-En-2-Ylcyclohexene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
NPC3649 C10H16 136.1252005 2.7208 2.56 3.326 0 0 0 3 1 10 0
NPC71853 C10H12O Estragole 148.09 0.9769 2.45 3.658 0 0 9.23 4 1 11 0
NPC88566 C10H14 134.1095504 1.2149 2.56 5.785 0 0 0 4 1 10 1
NPC89422 C15H32 212.250401 -3.6414 3.11 8.875 0 0 0 14 0 15 2

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