16 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.



9 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC80710
Formula: C16H12O5

Ingredient ID: NPC71821
Formula: C24H34O5

Ingredient ID: NPC474013
Formula: C22H32O4

Ingredient ID: NPC329842
Formula: C22H32O5

Ingredient ID: NPC31279
Formula: C10H10O2

Ingredient ID: NPC312132
Formula: C10H14O

Ingredient ID: NPC309182
Formula: C15H24

Ingredient ID: NPC306219
Formula: C22H28O3

Ingredient ID: NPC305327
Formula: C15H24

Ingredient ID: NPC297046
Formula: C22H32O3

Ingredient ID: NPC294511
Formula: C22H32O4

Ingredient ID: NPC257124
Formula: C10H12O2

Ingredient ID: NPC255042
Formula: C10H18O

Ingredient ID: NPC203765
Formula: C20H24O

Ingredient ID: NPC121615
Formula: C22H32O4

Ingredient ID: NPC114239
Formula: C10H16

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC114239 C10H16 136.1252005 1.5162 2.56 4.177 0 0 0 3 1 10 0
NPC121615 C22H32O4 Sucutinirane F 360.23 -0.0487 3.44 5.484 3 1 59.67 8 4 26 1
NPC203765 C20H24O (4aS,11bS)-4,4,7,11b-tetramethyl-1,2,3,4a-tetrahydronaphtho[2,1-f][1]benzofuran 280.1827154 1.9774 3.55 7.793 0 0 13.14 0 4 21 1
NPC255042 C10H18O Geraniol 154.14 2.3397 2.45 2.524 1 1 20.23 8 0 11 0
NPC257124 C10H12O2 Eugenol 164.08 0.5166 2.34 2.484 0 1 29.46 5 1 12 0
NPC294511 C22H32O4 Sucutinirane E 360.23 -0.0487 3.44 5.484 3 1 59.67 8 4 26 1
NPC297046 C22H32O3 [(4aS,5S,6aS,7R,11aS,11bR)-4,4,7,11b-tetramethyl-1,2,3,4a,5,6,6a,7,11,11a-decahydronaphtho[2,1-f][1]benzofuran-5-yl] acetate 344.2351449 0.7176 3.55 6.514 2 0 39.44 2 4 25 1
NPC305327 C15H24 (1S,4aR,8aS)-4,7-dimethyl-1-propan-2-yl-1,2,4a,5,8,8a-hexahydronaphthalene 204.1878008 2.2008 3.11 5.901 0 0 0 1 2 15 1
NPC306219 C22H28O3 [(4aS,5S,11bS)-4,4,7,11b-tetramethyl-1,2,3,4a,5,6-hexahydronaphtho[2,1-f][1]benzofuran-5-yl] acetate 340.2038448 1.311 3.55 6.391 2 0 39.44 2 4 25 1
NPC309182 C15H24 (1S,4E,9R)-4,11,11-trimethyl-8-methylidenebicyclo[7.2.0]undec-4-ene 204.1878008 3.2289 3.11 6.044 0 0 0 0 2 15 1
NPC312132 C10H14O Carvacrol 150.1 0.7546 2.45 3.556 0 1 20.23 5 1 11 0
NPC31279 C10H10O2 Safrole 162.07 0.726 2.34 2.93 0 0 18.46 2 2 12 0
NPC329842 C22H32O5 Sucutinirane A 376.22 0.699 3.33 4.578 5 1 72.83 8 4 27 0
NPC474013 C22H32O4 12-Deoxy-Sucutinirane A 360.23 1.0889 3.44 5.463 4 0 52.6 7 4 26 1
NPC71821 C24H34O5 402.2406242 0.3304 3.55 6.224 4 0 65.74 10 4 29 1
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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