9 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: NPC4671
Formula: C28H48O

Ingredient ID: NPC296386
Formula: C28H42O

Ingredient ID: NPC261831
Formula: C18H34O2

Ingredient ID: NPC216630
Formula: C16H32O2

Ingredient ID: NPC209970
Formula: C18H36O2

Ingredient ID: NPC207554
Formula: C15H8N2O2

Ingredient ID: NPC193046
Formula: C28H46O

Ingredient ID: NPC18603
Formula: C28H44O

Ingredient ID: NPC134330
Formula: C28H46O

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC134330 C28H46O 398.3548661 1.9328 4.43 10.692 1 1 20.23 11 4 29 1
NPC18603 C28H44O Ergosterol 396.34 2.2555 4.43 9.499 1 1 20.23 11 4 29 1
NPC193046 C28H46O 398.3548661 2.1615 4.43 10.295 1 1 20.23 5 4 29 1
NPC207554 C15H8N2O2 Tryptanthrin 248.06 -0.8639 2.67 3.473 4 0 49.74 0 4 19 0
NPC209970 C18H36O2 Stearic Acid 284.27 -4.4737 3.22 8.708 2 1 37.3 18 0 20 2
NPC216630 C16H32O2 Palmitic Acid 256.24 -3.8977 3 7.57 2 1 37.3 16 0 18 2
NPC261831 C18H34O2 Oleic Acid 282.26 -2.3427 3.22 8.192 2 1 37.3 17 0 20 2
NPC296386 C28H42O (3S,10S,13R,14R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,12,14,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol 394.323566 2.6618 4.43 9.787 1 1 20.23 4 4 29 1
NPC4671 C28H48O (3S,5S,9R,10S,13R,14R,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 400.3705162 1.9762 4.43 11.216 1 1 20.23 5 4 29 1

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