18 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: NPC86906
Formula: C30H48N2O2

Ingredient ID: NPC79238
Formula: C29H46N2O2

Ingredient ID: NPC7214
Formula: C24H40N2

Ingredient ID: NPC71621
Formula: C21H36N2

Ingredient ID: NPC56044
Formula: C21H35NO

Ingredient ID: NPC39927
Formula: C6H7O6P

Ingredient ID: NPC38216
Formula: C29H46O2

Ingredient ID: NPC36783
Formula: C23H39NO

Ingredient ID: NPC301585
Formula: C14H28O2

Ingredient ID: NPC283277
Formula: C21H32N2

Ingredient ID: NPC272592
Formula: C25H44N2

Ingredient ID: NPC244582
Formula: C22H38N2

Ingredient ID: NPC21664
Formula: C25H44N2O

Ingredient ID: NPC171175
Formula: C31H52O

Ingredient ID: NPC161162
Formula: C23H39NO

Ingredient ID: NPC151843
Formula: C22H37NO

Ingredient ID: NPC118329
Formula: C23H38N2

Ingredient ID: NPC110615
Formula: C21H35NO

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC110615 C21H35NO 317.2718647 0.0351 3.55 6.031 2 1 43.09 5 4 23 1
NPC118329 C23H38N2 Isoconessimine 342.3 -0.0183 3.77 4.76 2 1 15.27 5 5 25 0
NPC151843 C22H37NO 331.2875148 0.0363 3.66 5.464 2 2 32.26 2 4 24 1
NPC161162 C23H39NO 345.3031649 0.5722 3.77 5.703 2 1 23.47 2 4 25 1
NPC171175 C31H52O 440.4018163 2.1486 4.76 12.494 1 1 20.23 5 5 32 1
NPC21664 C25H44N2O 388.345364 0.1596 3.88 4.5 3 1 26.71 4 4 28 0
NPC244582 C22H38N2 (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-aminoethyl]-N,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine 330.3034992 -0.2533 3.66 5.397 2 2 38.05 2 4 24 1
NPC272592 C25H44N2 372.3504494 1.2503 3.99 6.265 2 0 6.48 3 4 27 1
NPC283277 C21H32N2 312.256549 -0.7235 3.55 4.189 2 1 38.38 3 5 23 0
NPC301585 C14H28O2 Myristic Acid 228.21 -3.3217 2.78 6.432 2 1 37.3 14 0 16 2
NPC36783 C23H39NO 345.3031649 0.5722 3.77 5.703 2 1 23.47 2 4 25 1
NPC38216 C29H46O2 [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylhept-5-en-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate 426.3497807 3.2052 4.43 10.401 2 0 26.3 6 4 31 1
NPC39927 C6H7O6P (5-formylfuran-3-yl)methyl phosphate 203.9823745 -2.0866 1.35 -1.192 5 0 112.44 4 1 13 0
NPC56044 C21H35NO 1-(3-amino-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl)ethanone 317.2718647 0.0351 3.55 6.031 2 1 43.09 1 4 23 1
NPC71621 C21H36N2 (3S,8S,9S,10R,13S,14S,17S)-17-[(1S)-1-aminoethyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-amine 316.2878492 -0.6851 3.55 5.007 2 2 52.04 1 4 23 1
NPC7214 C24H40N2 Conessine 356.32 0.5176 3.88 4.999 2 0 6.48 6 5 26 0
NPC79238 C29H46N2O2 454.36 1.3688 4.21 5.279 4 1 41.57 11 5 33 1
NPC86906 C30H48N2O2 468.37 1.9047 4.32 5.518 4 0 32.78 12 5 34 1

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