10 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: NPC76336
Formula: C10H8O4

Ingredient ID: NPC33320
Formula: C12H8O4

Ingredient ID: NPC288402
Formula: C20H28O3

Ingredient ID: NPC265421
Formula: C13H13NO

Ingredient ID: NPC257188
Formula: C14H12O3

Ingredient ID: NPC243688
Formula: C19H22O3

Ingredient ID: NPC243509
Formula: C16H14O4

Ingredient ID: NPC234536
Formula: C13H10O5

Ingredient ID: NPC183138
Formula: C19H22O3

Ingredient ID: NPC160445
Formula: C15H16O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC160445 C15H16O4 10-methoxy-2,2-dimethyl-3,4-dihydropyrano[3,2-g]chromen-8-one 260.104859 0.9762 2.67 2.679 1 0 44.76 1 3 19 0
NPC183138 C19H22O3 8-(3,7-dimethylocta-2,6-dienyl)-7-hydroxychromen-2-one 298.1568946 2.9193 3.22 4.824 1 1 46.53 5 2 22 0
NPC234536 C13H10O5 Isopimpinellin 246.05 0.0123 2.34 1.246 1 0 57.9 4 3 18 0
NPC243509 C16H14O4 Pentosalen 270.09 1.5296 2.78 2.891 1 0 48.67 5 3 20 0
NPC243688 C19H22O3 Ostruthin 298.16 2.9193 3.22 4.824 1 1 46.53 9 2 22 0
NPC257188 C14H12O3 Xanthyletin 228.08 1.1778 2.67 2.932 1 0 35.53 2 3 17 0
NPC265421 C13H13NO 1-(1H-indol-3-yl)-3-methylbut-2-en-1-one 199.099714 0.7653 2.67 3.256 2 1 32.86 2 2 15 0
NPC288402 C20H28O3 (1R,4aS,5R,8aS)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid 316.2038448 0.8734 3.33 5.339 2 1 50.44 4 3 23 1
NPC33320 C12H8O4 Methoxsalen 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0

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