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: NPC80710
Formula: C16H12O5

Ingredient ID: NPC57601
Formula: C15H10O3

Ingredient ID: NPC325497
Formula: C17H22O2

Ingredient ID: NPC307174
Formula: C11H8O3

Ingredient ID: NPC303522
Formula: C12H14O3

Ingredient ID: NPC295985
Formula: C41H68O14

Ingredient ID: NPC283178
Formula: C11H16O

Ingredient ID: NPC264537
Formula: C17H22O2

Ingredient ID: NPC154728
Formula: C13H20O3

Ingredient ID: NPC147686
Formula: C15H12O4

Ingredient ID: NPC140840
Formula: C15H10O5

Ingredient ID: NPC111876
Formula: C12H18O3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC111876 C12H18O3 2-[(1R)-3-oxo-2-[(Z)-pent-2-enyl]cyclopentyl]acetate 209.1177694 -1.0135 2.45 1.337 3 0 57.2 5 1 15 0
NPC140840 C15H10O5 Sulfuretin 270.05 -1.7778 2.56 2.329 1 3 86.99 4 3 20 0
NPC147686 C15H12O4 Liquirtigenin 256.07 -1.3541 2.67 1.86 1 2 66.76 3 3 19 0
NPC154728 C13H20O3 224.1412445 -0.0847 2.56 2.139 3 0 43.37 8 1 16 0
NPC264537 C17H22O2 2-(3,7-dimethylocta-1,6-dien-3-yl)benzoate 257.1541549 1.9363 3.11 6.123 2 0 40.13 6 1 19 1
NPC283178 C11H16O 3-methyl-2-[(E)-pent-2-enyl]cyclopent-2-en-1-one 164.1201151 1.1043 2.56 2.324 1 0 17.07 3 1 12 0
NPC295985 C41H68O14 784.4609069 -3.3674 4.43 3.326 14 9 228.22 6 8 55 2
NPC303522 C12H14O3 Eugenyl Acetate 206.09 0.8957 2.45 3.224 1 0 35.53 7 1 15 0
NPC307174 C11H8O3 Ramentaceone 188.05 -0.0915 2.34 0.898 2 1 54.37 2 2 14 0
NPC325497 C17H22O2 258.16 2.8384 3.11 5.954 2 0 26.3 10 1 19 1
NPC57601 C15H10O3 7-Hydroxyflavone 238.06 -0.9639 2.78 4.126 1 1 46.53 2 3 18 0
NPC80710 C16H12O5 Calycosin 284.07 -1.6391 2.67 2.031 1 2 75.99 5 3 21 0

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