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: NPC98745
Formula: C21H24O4

Ingredient ID: NPC96420
Formula: C30H52O4

Ingredient ID: NPC80241
Formula: C20H22O4

Ingredient ID: NPC74901
Formula: C35H58O6

Ingredient ID: NPC72392
Formula: C22H26O6

Ingredient ID: NPC62602
Formula: C21H26O5

Ingredient ID: NPC49603
Formula: C20H22O4

Ingredient ID: NPC43580
Formula: C30H48O2

Ingredient ID: NPC39754
Formula: C35H62O7

Ingredient ID: NPC38468
Formula: C15H20O3

Ingredient ID: NPC32411
Formula: C19H20O5

Ingredient ID: NPC279641
Formula: C20H18O9

Ingredient ID: NPC245665
Formula: C15H20O3

Ingredient ID: NPC242885
Formula: C20H26O4

Ingredient ID: NPC221850
Formula: C18H18O5

Ingredient ID: NPC218109
Formula: C27H30O16

Ingredient ID: NPC198179
Formula: C23H30O6

Ingredient ID: NPC184049
Formula: C15H24O

Ingredient ID: NPC174459
Formula: C22H24O6

Ingredient ID: NPC173623
Formula: C30H52O4

Ingredient ID: NPC161249
Formula: C20H24O5

Ingredient ID: NPC147616
Formula: C20H22O5

Ingredient ID: NPC142753
Formula: C35H60O6

Ingredient ID: NPC11952
Formula: C21H26O5

Ingredient ID: NPC116775
Formula: C15H10O6

Ingredient ID: NPC111644
Formula: C31H50O2

Ingredient ID: NPC104077
Formula: C20H22O5

Ingredient ID: NPC101748
Formula: C20H24O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC101748 C20H24O4 4-[(2R,3R)-4-(1,3-benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol 328.1674592 0.0944 3.22 5.684 0 1 47.92 6 3 24 1
NPC104077 C20H22O5 342.1467238 -0.5281 3.11 4.256 1 1 57.15 8 4 25 0
NPC111644 C31H50O2 [(3S,10R,13R)-17-[(2S)-5-ethyl-6-methylhept-5-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] acetate 454.3810808 3.1233 4.65 10.927 2 0 26.3 7 4 33 1
NPC116775 C15H10O6 Kaempferol 286.05 -2.3409 2.45 1.915 2 4 107.22 5 3 21 0
NPC11952 C21H26O5 358.1780239 -0.329 3.22 4.329 1 1 57.15 7 3 26 0
NPC142753 C35H60O6 (3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-17-[(2R,5R)-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
NPC147616 C20H22O5 342.1467238 -0.5281 3.11 4.256 1 1 57.15 8 4 25 0
NPC161249 C20H24O5 4-[(2R,3S,4R)-4-(1,3-benzodioxol-5-yl)-4-hydroxy-2,3-dimethylbutyl]-2-methoxyphenol 344.1623739 -0.7375 3.11 3.81 1 2 68.15 6 3 25 0
NPC173623 C30H52O4 3-(2-ethoxypropan-2-yl)-5a,5b,11a,13b-tetramethyl-1,2,3a,4,5,6,7,7a,8,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-3,4,9-triol 476.3865601 0.7523 4.32 7.796 4 3 69.92 3 5 34 1
NPC174459 C22H24O6 384.1572885 -0.149 3.22 4.996 2 0 63.22 7 4 28 0
NPC184049 C15H24O 220.1827154 1.7158 3 4.157 1 1 20.23 4 3 16 0
NPC198179 C23H30O6 402.2042387 -0.1593 3.33 4.623 2 1 74.22 10 2 29 0
NPC218109 C27H30O16 2-(2,3-dihydroxyphenyl)-5,7-dihydroxy-3-[3,4,5-trihydroxy-6-[(3,4,5-trihydroxy-6-methyloxan-2-yl)oxymethyl]oxan-2-yl]oxychromen-4-one 610.1533849 -6.139 2.67 -1.188 11 10 265.52 6 5 43 2
NPC221850 C18H18O5 (2S,3S)-2-(4-hydroxy-3-methoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde 314.1154237 -0.8274 2.89 2.598 1 1 64.99 4 3 23 0
NPC242885 C20H26O4 (-)-Dihydroguaiareticacid 330.18 -0.115 3.22 5.238 0 2 58.92 13 2 24 1
NPC245665 C15H20O3 (3As,6Ar,9R,9As,9Bs)-9-Hydroxy-9-Methyl-3,6-Dimethylenedecahydroazuleno[4,5-B]Furan-2(9Bh)-One 248.14 0.7593 2.78 1.829 3 1 46.53 2 3 18 0
NPC279641 C20H18O9 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,4S,5S)-3,4,5-trihydroxyoxan-2-yl]chromen-4-one 402.0950822 -3.6095 2.67 -0.265 5 6 156.91 2 4 29 1
NPC32411 C19H20O5 (2S,3S)-2-(3,4-dimethoxyphenyl)-7-methoxy-3-methyl-2,3-dihydro-1-benzofuran-5-carbaldehyde 328.1310737 -0.4189 3 3.117 1 0 53.99 5 3 24 0
NPC38468 C15H20O3 248.14 1.7578 2.78 2.449 3 0 38.83 2 3 18 0
NPC39754 C35H62O7 594.4495543 -7.7942 4.54 8.65 7 3 105.45 28 3 42 2
NPC43580 C30H48O2 5a,5b,8,8,11a,13b-hexamethyl-3-propan-2-yl-1,2,6,7,7a,9,10,11,11b,12,13,13a-dodecahydrocyclopenta[a]chrysene-7,9-diol 440.3654308 2.179 4.54 8.711 2 2 40.46 1 5 32 1
NPC49603 C20H22O4 Licarine A 326.15 0.2723 3.22 4.363 0 1 47.92 9 3 24 0
NPC62602 C21H26O5 (1S,2R,3R)-1-(1,3-benzodioxol-5-yl)-4-(3,4-dimethoxyphenyl)-2,3-dimethylbutan-1-ol 358.1780239 -0.329 3.22 4.329 1 1 57.15 7 3 26 0
NPC72392 C22H26O6 386.1729386 -0.3584 3.22 4.55 2 1 74.22 8 3 28 0
NPC74901 C35H58O6 (2R,3R,4S,5S,6R)-2-[[(3S,5S,9R,10S,13R,14R,17R)-17-[(E,2R,5S)-5-ethyl-6-methylhept-3-en-2-yl]-10,13-dimethyl-2,3,4,5,6,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 574.4233396 -0.4903 4.65 10.153 6 4 99.38 8 5 41 1
NPC80241 C20H22O4 326.1518092 0.3038 3.22 6.13 0 0 36.92 7 4 24 1
NPC96420 C30H52O4 (3R,5bR,9S,11aR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene-4,7,9-triol 476.3865601 0.6 4.32 6.793 4 4 80.92 1 5 34 1
NPC98745 C21H24O4 Acuminatin 340.17 0.6808 3.33 4.882 0 0 36.92 10 3 25 0

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