14 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: NPC82979
Formula: C20H30O3

Ingredient ID: NPC80083
Formula: C21H20O6

Ingredient ID: NPC74539
Formula: C12H8O4

Ingredient ID: NPC51146
Formula: C11H6O3

Ingredient ID: NPC45263
Formula: C27H44O3

Ingredient ID: NPC326
Formula: C14H14O5

Ingredient ID: NPC295618
Formula: C30H50O3

Ingredient ID: NPC273886
Formula: C20H24O10

Ingredient ID: NPC247553
Formula: C9H6O3

Ingredient ID: NPC21333
Formula: C26H34O14

Ingredient ID: NPC167625
Formula: C14H12O4

Ingredient ID: NPC130683
Formula: C12H22O11

Ingredient ID: NPC120118
Formula: C21H18O6

Ingredient ID: NPC113733
Formula: C29H48O

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC113733 C29H48O Stigmasterol 412.37 1.2566 4.54 11.071 1 1 20.23 12 4 30 1
NPC120118 C21H18O6 366.1103383 0.9781 3.11 2.73 3 0 74.97 4 4 27 0
NPC130683 C12H22O11 342.1162115 -4.3105 1.57 -3.277 11 8 189.53 13 2 23 2
NPC167625 C14H12O4 2-(2-hydroxypropan-2-yl)furo[3,2-g]chromen-7-one 244.0735589 0.2497 2.56 2.376 2 1 59.67 1 3 18 0
NPC21333 C26H34O14 570.1948558 -3.3052 2.78 -0.879 12 7 214.06 6 5 40 2
NPC247553 C9H6O3 Umbelliferone 162.03 -0.1903 2.12 1.532 1 1 46.53 1 2 12 0
NPC273886 C20H24O10 (2S,3R)-3-hydroxy-2-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-2,3-dihydrofuro[3,2-g]chromen-7-one 424.136947 -2.0583 2.56 -0.045 8 5 155.14 4 4 30 0
NPC295618 C30H50O3 3-[(3R,4S,5R,8S,9R,10S,13R,14R,17R)-3-hydroxy-5,8,9,13-tetramethyl-17-propan-2-yl-3-prop-1-en-2-yl-1,2,4,6,7,10,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-4-yl]propanoic acid 458.3759955 3.0626 4.43 10.202 3 2 57.53 5 4 33 1
NPC326 C14H14O5 (2S,3R)-3-hydroxy-2-(2-hydroxypropan-2-yl)-2,3-dihydrofuro[3,2-g]chromen-7-one 262.0841235 -0.3114 2.45 1.492 3 2 75.99 1 3 19 0
NPC45263 C27H44O3 416.3290453 2.0589 4.1 9.57 3 1 54.37 4 4 30 1
NPC51146 C11H6O3 Psoralen 186.03 0.1159 2.34 2.134 1 0 39.44 0 3 14 0
NPC74539 C12H8O4 Bergapten 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
NPC80083 C21H20O6 368.1259884 -0.0907 3.11 2.753 3 0 74.97 5 4 27 0
NPC82979 C20H30O3 318.22 1.0012 3.33 3.864 3 2 57.53 7 3 23 0

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