28 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.



6 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC84549
Formula: C39H56O5

Ingredient ID: NPC80297
Formula: C30H50O2

Ingredient ID: NPC79490
Formula: C30H50O2

Ingredient ID: NPC34778
Formula: C34H34O8

Ingredient ID: NPC31344
Formula: C20H24O5

Ingredient ID: NPC308532
Formula: C31H44O5

Ingredient ID: NPC307063
Formula: C30H50O

Ingredient ID: NPC291985
Formula: C30H48O3

Ingredient ID: NPC28116
Formula: C30H50O3

Ingredient ID: NPC271896
Formula: C30H50O2

Ingredient ID: NPC252617
Formula: C30H50O2

Ingredient ID: NPC243966
Formula: C11H16O3

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC227400
Formula: C30H50O2

Ingredient ID: NPC213279
Formula: C30H50O2

Ingredient ID: NPC213277
Formula: C30H42O5

Ingredient ID: NPC212768
Formula: C37H39NO9

Ingredient ID: NPC204465
Formula: C30H38O7

Ingredient ID: NPC194985
Formula: C20H34O2

Ingredient ID: NPC193936
Formula: C30H50O3

Ingredient ID: NPC192638
Formula: C30H50O

Ingredient ID: NPC184935
Formula: C30H40O5

Ingredient ID: NPC174167
Formula: C30H40O4

Ingredient ID: NPC159764
Formula: C37H39NO10

Ingredient ID: NPC140261
Formula: C27H34O3

Ingredient ID: NPC133155
Formula: C30H48O2

Ingredient ID: NPC132150
Formula: C30H50O2

Ingredient ID: NPC104387
Formula: C30H50O2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC104387 C30H50O2 Calenduladiol 442.38 2.6582 4.54 9.394 2 2 40.46 10 5 32 1
NPC132150 C30H50O2 (1R,3aR,5aR,5bR,7aS,9R,11R,11aR,11bS,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-9,11-diol 442.3810808 2.6582 4.54 10.238 2 2 40.46 1 5 32 1
NPC133155 C30H48O2 440.3654308 3.2279 4.54 8.787 2 1 37.3 1 5 32 1
NPC140261 C27H34O3 406.2507949 1.6865 4.1 6.978 3 1 54.37 0 5 30 1
NPC159764 C37H39NO10 657.2573964 -0.773 4.32 8.099 11 1 147.55 11 6 48 3
NPC174167 C30H40O4 Pristimerin 464.29 2.7341 4.32 8.301 4 1 63.6 10 5 34 1
NPC184935 C30H40O5 480.29 1.56 4.21 6.895 3 2 83.83 11 5 35 1
NPC192638 C30H50O Lupeol 426.39 3.2313 4.65 11.901 1 1 20.23 9 5 31 1
NPC193936 C30H50O3 458.3759955 3.0072 4.43 10.33 3 2 57.53 5 4 33 1
NPC194985 C20H34O2 306.2558803 0.1607 3.44 5.47 2 2 40.46 1 4 22 1
NPC204465 C30H38O7 510.2617536 0.6782 3.99 7.003 7 3 121.13 3 5 37 1
NPC212768 C37H39NO9 641.26 -0.3339 4.43 9.009 10 0 127.32 16 6 47 2
NPC213277 C30H42O5 482.3032244 1.2984 4.21 7.956 5 2 83.83 2 5 35 1
NPC213279 C30H50O2 442.3810808 1.9209 4.54 9.359 2 2 40.46 1 5 32 1
NPC227400 C30H50O2 442.3810808 2.6582 4.54 9.394 2 2 40.46 1 5 32 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC243966 C11H16O3 (6S,7aS)-6-hydroxy-4,4,7a-trimethyl-6,7-dihydro-5H-1-benzofuran-2-one 196.1099444 0.9505 2.34 0.952 3 1 46.53 0 2 14 0
NPC252617 C30H50O2 442.3810808 1.9209 4.54 9.359 2 2 40.46 1 5 32 1
NPC271896 C30H50O2 442.3810808 1.7925 4.54 8.941 2 2 40.46 1 5 32 1
NPC28116 C30H50O3 458.3759955 1.5675 4.43 8.691 3 3 60.69 2 5 33 1
NPC291985 C30H48O3 456.3603454 2.5308 4.43 9.03 3 1 38.69 1 6 33 1
NPC307063 C30H50O Friedeline 426.39 3.2175 4.65 12.613 1 0 17.07 8 5 31 1
NPC308532 C31H44O5 496.3188745 2.0882 4.32 7.044 5 1 80.67 2 5 36 1
NPC31344 C20H24O5 (-)-3,4-Divanillyltetrahydrofuran 344.16 -1.1249 3.11 2.726 1 2 68.15 10 3 25 0
NPC34778 C34H34O8 570.225368 -1.153 4.32 8.68 8 2 111.52 15 4 42 2
NPC79490 C30H50O2 442.3810808 1.7925 4.54 8.941 2 2 40.46 1 5 32 1
NPC80297 C30H50O2 442.3810808 2.6582 4.54 10.238 2 2 40.46 10 5 32 1
NPC84549 C39H56O5 604.4127749 2.4679 5.2 12.199 5 3 86.99 5 6 44 1

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