36 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.



7 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC97515
Formula: C22H34O3

Ingredient ID: NPC96388
Formula: C19H36O3

Ingredient ID: NPC89180
Formula: C6H11NO2

Ingredient ID: NPC86058
Formula: C24H38O3

Ingredient ID: NPC79011
Formula: C19H28O4

Ingredient ID: NPC73840
Formula: C19H30O2

Ingredient ID: NPC7089
Formula: C17H26O2

Ingredient ID: NPC70261
Formula: C47H82O2

Ingredient ID: NPC44830
Formula: C18H28O2

Ingredient ID: NPC42482
Formula: C39H62O13

Ingredient ID: NPC37466
Formula: C21H36O2

Ingredient ID: NPC36911
Formula: C31H50O2

Ingredient ID: NPC302439
Formula: C6H11NO3

Ingredient ID: NPC294200
Formula: C21H32O4

Ingredient ID: NPC289668
Formula: C29H48O

Ingredient ID: NPC285173
Formula: C16H24O2

Ingredient ID: NPC284311
Formula: C53H80O2

Ingredient ID: NPC259659
Formula: C21H38O3

Ingredient ID: NPC258314
Formula: C35H58O6

Ingredient ID: NPC254509
Formula: C31H52O

Ingredient ID: NPC243728
Formula: C35H60O6

Ingredient ID: NPC242580
Formula: C29H50O2

Ingredient ID: NPC231507
Formula: C24H36O2

Ingredient ID: NPC221491
Formula: C21H34O2

Ingredient ID: NPC22140
Formula: C35H60O6

Ingredient ID: NPC216630
Formula: C16H32O2

Ingredient ID: NPC21380
Formula: C21H34O3

Ingredient ID: NPC182385
Formula: C20H32O2

Ingredient ID: NPC178158
Formula: C31H50O2

Ingredient ID: NPC177365
Formula: C21H34O4

Ingredient ID: NPC17695
Formula: C21H34O4

Ingredient ID: NPC158088
Formula: C35H58O6

Ingredient ID: NPC157192
Formula: C29H50O

Ingredient ID: NPC13789
Formula: C15H24O

Ingredient ID: NPC123965
Formula: C30H50

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC123965 C30H50 410.3912516 8.5524 4.76 11.482 0 0 0 23 0 30 2
NPC13789 C15H24O (-)-Caryophyllene Oxide 220.18 1.9144 3 4.607 1 0 12.53 3 3 16 0
NPC157192 C29H50O (3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
NPC158088 C35H58O6 574.4233396 -0.4903 4.65 9.963 6 4 99.38 18 5 41 1
NPC17695 C21H34O4 350.2457096 -1.3873 3.33 4.158 4 3 77.76 1 4 25 0
NPC177365 C21H34O4 350.2457096 -1.3873 3.33 4.158 4 3 77.76 1 4 25 0
NPC178158 C31H50O2 454.3810808 2.3145 4.65 9.782 2 1 37.3 6 5 33 1
NPC182385 C20H32O2 14-phenyltetradecanoic acid 304.2402303 -3.3106 3.44 9.908 2 1 37.3 14 1 22 2
NPC21380 C21H34O3 (2S,3R,5S,8R,9S,10S,13S,14S,17R)-17-ethyl-2,3-dihydroxy-10,13-dimethyl-1,2,3,4,5,6,7,8,9,11,12,14,15,17-tetradecahydrocyclopenta[a]phenanthren-16-one 334.2507949 -0.621 3.44 4.97 3 2 57.53 1 4 24 0
NPC216630 C16H32O2 Palmitic Acid 256.24 -3.8977 3 7.57 2 1 37.3 16 0 18 2
NPC22140 C35H60O6 (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 576.4389896 -0.4469 4.65 10.487 6 4 99.38 9 5 41 1
NPC221491 C21H34O2 15-phenylpentadecanoic acid 318.2558803 -3.5986 3.55 10.477 2 1 37.3 15 1 23 2
NPC231507 C24H36O2 356.2715304 -2.8612 3.88 11.214 2 0 26.3 14 2 26 2
NPC242580 C29H50O2 Vitamin E 430.38 3.2935 4.43 10.938 0 1 29.46 21 2 31 2
NPC243728 C35H60O6 Daucosterol 576.44 -0.4469 4.65 10.487 6 4 99.38 19 5 41 1
NPC254509 C31H52O 440.4 2.633 4.76 12.365 1 1 20.23 13 5 32 1
NPC258314 C35H58O6 (2R,3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 574.4233396 -0.4903 4.65 9.963 6 4 99.38 8 5 41 1
NPC259659 C21H38O3 (3R,4S,5S)-3-[(Z)-hexadec-7-enyl]-4-hydroxy-5-methyloxolan-2-one 338.2820951 -2.3397 3.44 7.961 3 1 46.53 14 1 24 2
NPC284311 C53H80O2 (2R)-2,7,8-trimethyl-2-[(3E,7E,11E,15E,19E,23E,27E)-4,8,12,16,20,24,28,32-octamethyltritriaconta-3,7,11,15,19,23,27,31-octaenyl]chromen-6-ol 748.6158318 11.9848 7.07 16.964 0 1 29.46 24 2 55 2
NPC285173 C16H24O2 10-phenyldecanoic acid 248.17763 -2.1586 3 7.632 2 1 37.3 10 1 18 1
NPC289668 C29H48O (3S,8S,9S,10R,13R,14S,17R)-17-[(E,2R,5R)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol 412.3705162 1.2566 4.54 11.071 1 1 20.23 5 4 30 1
NPC294200 C21H32O4 348.2300595 -1.3351 3.33 3.856 4 2 66.76 1 5 25 0
NPC302439 C6H11NO3 (2S,4R)-4-hydroxy-1-methylpyrrolidine-2-carboxylic acid 145.0738932 -1.0685 1.68 -0.976 4 2 60.77 1 1 10 0
NPC36911 C31H50O2 454.3810808 2.3145 4.65 9.782 2 1 37.3 6 5 33 1
NPC37466 C21H36O2 320.2715304 -1.6053 3.55 8.929 2 0 26.3 14 1 23 2
NPC42482 C39H62O13 Manioside A 738.42 -3.4276 4.32 2.338 13 7 196.99 17 8 52 2
NPC44830 C18H28O2 12-Phenyldodecanoic Acid 276.21 -2.7346 3.22 8.77 2 1 37.3 13 1 20 2
NPC70261 C47H82O2 678.6314819 -0.6557 6.41 20.755 2 0 26.3 21 5 49 2
NPC7089 C17H26O2 11-phenylundecanoic acid 262.1932801 -2.4466 3.11 8.201 2 1 37.3 11 1 19 2
NPC73840 C19H30O2 13-phenyltridecanoic acid 290.2245802 -3.0226 3.33 9.339 2 1 37.3 13 1 21 2
NPC79011 C19H28O4 320.1987594 -0.9189 3.11 2.994 4 2 66.76 0 5 23 0
NPC86058 C24H38O3 (3R,4S,5S)-4-hydroxy-5-methyl-3-(13-phenyltridecyl)oxolan-2-one 374.2820951 -3.5956 3.77 10.246 3 1 46.53 14 2 27 2
NPC89180 C6H11NO2 (2R)-1-methylpyrrolidin-1-ium-2-carboxylate 129.0789786 -0.8458 1.79 0.054 3 1 40.54 1 1 9 0
NPC96388 C19H36O3 (3R,4S,5S)-4-hydroxy-5-methyl-3-tetradecyloxolan-2-one 312.266445 -3.8947 3.22 7.339 3 1 46.53 13 1 22 2
NPC97515 C22H34O3 (3R,4S,5S)-4-hydroxy-5-methyl-3-(11-phenylundecyl)oxolan-2-one 346.2507949 -3.0196 3.55 9.108 3 1 46.53 12 2 25 2

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