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.



5 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC78612
Formula: C13H10O5

Ingredient ID: NPC33320
Formula: C12H8O4

Ingredient ID: NPC288254
Formula: C17H26O

Ingredient ID: NPC27730
Formula: C17H26O

Ingredient ID: NPC275769
Formula: C14H14O5

Ingredient ID: NPC243509
Formula: C16H14O4

Ingredient ID: NPC234536
Formula: C13H10O5

Ingredient ID: NPC210460
Formula: C17H16O5

Ingredient ID: NPC157192
Formula: C29H50O

Ingredient ID: NPC115776
Formula: C17H24O

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC115776 C17H24O 244.1827154 0.9121 3.22 6.365 1 1 20.23 7 0 18 1
NPC157192 C29H50O (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
NPC210460 C17H16O5 Phellopterin 300.1 1.4778 2.78 2.447 1 0 57.9 7 3 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
NPC275769 C14H14O5 262.0841235 -0.6265 2.45 0.961 3 2 75.99 2 3 19 0
NPC27730 C17H26O 246.1983655 -0.1695 3.22 6.374 1 1 20.23 8 0 18 1
NPC288254 C17H26O 246.1983655 -0.1695 3.22 6.374 1 1 20.23 8 0 18 1
NPC33320 C12H8O4 Methoxsalen 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
NPC78612 C13H10O5 Pimpinellin 246.05 0.0123 2.34 1.246 1 0 57.9 4 3 18 0

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