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.



21 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC90615
Formula: C20H18O5

Ingredient ID: NPC82217
Formula: C21H18O6

Ingredient ID: NPC8127
Formula: C26H26O6

Ingredient ID: NPC73535
Formula: C20H18O5

Ingredient ID: NPC73505
Formula: C25H26O5

Ingredient ID: NPC65885
Formula: C27H28O6

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC49667
Formula: C25H24O6

Ingredient ID: NPC34431
Formula: C25H26O6

Ingredient ID: NPC295719
Formula: C25H26O5

Ingredient ID: NPC272157
Formula: C20H18O6

Ingredient ID: NPC25111
Formula: C20H18O4

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC225710
Formula: C7H6O5

Ingredient ID: NPC216842
Formula: C20H16O6

Ingredient ID: NPC201145
Formula: C20H18O7

Ingredient ID: NPC192638
Formula: C30H50O

Ingredient ID: NPC190729
Formula: C14H18O3

Ingredient ID: NPC189023
Formula: C14H18O6S

Ingredient ID: NPC18785
Formula: C14H18O6S

Ingredient ID: NPC183211
Formula: C14H18O3

Ingredient ID: NPC179950
Formula: C21H20O12

Ingredient ID: NPC171137
Formula: C27H44O6

Ingredient ID: NPC165967
Formula: C24H48O2

Ingredient ID: NPC165026
Formula: C25H26O6

Ingredient ID: NPC117437
Formula: C25H26O6

Ingredient ID: NPC109071
Formula: C30H50O

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC109071 C30H50O (4R,4aS,6aR,6aS,6bR,8aR,12aR,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one 426.3861662 3.2175 4.65 12.613 1 0 17.07 0 5 31 1
NPC117437 C25H26O6 2-[3-hydroxy-4-(3-methylbut-2-enoxy)phenyl]-5-(4-hydroxyphenyl)-3,6-dimethoxyphenol 422.1729386 -0.0708 3.55 3.704 0 3 88.38 7 3 31 0
NPC165026 C25H26O6 Prenylterphenyllin C 422.17 -0.0674 3.55 3.883 0 4 99.38 14 3 31 0
NPC165967 C24H48O2 tetracosanoic acid 368.3654308 -6.2017 3.88 12.122 2 1 37.3 22 0 26 2
NPC171137 C27H44O6 Ponasterone A 464.31 -0.7591 3.77 2.592 6 5 118.22 15 4 33 0
NPC179950 C21H20O12 Isoquercetin 464.1 -4.8921 2.45 -0.354 7 8 206.6 12 4 33 1
NPC183211 C14H18O3 (2R)-6-(2-hydroxyethyl)-5-(hydroxymethyl)-2,7-dimethyl-2,3-dihydroinden-1-one 234.1255944 0.3524 2.67 0.899 3 2 57.53 3 2 17 0
NPC18785 C14H18O6S 2-[(1S,2S)-1-Hydroxy-2,4,6-Trimethyl-3-Oxo-1,2-Dihydroinden-5-Yl]Ethyl Hydrogen Sulfate 314.08 0.5624 2.23 0.126 6 2 109.28 9 2 21 0
NPC189023 C14H18O6S 2-[(1S,2R)-1-hydroxy-2,4,6-trimethyl-3-oxo-1,2-dihydroinden-5-yl]ethyl hydrogen sulfate 314.0824093 0.5624 2.23 0.126 6 2 109.28 4 2 21 0
NPC190729 C14H18O3 (2S,3S)-3-hydroxy-6-(2-hydroxyethyl)-2,5,7-trimethyl-2,3-dihydroinden-1-one 234.1255944 0.6112 2.67 1.423 3 2 57.53 2 2 17 0
NPC192638 C30H50O Lupeol 426.39 3.2313 4.65 11.901 1 1 20.23 9 5 31 1
NPC201145 C20H18O7 3,3-Dihydroxyterphenyllin 370.11 -2.4051 2.89 1.879 0 5 119.61 11 3 27 0
NPC216842 C20H16O6 Candidusin A 352.09 -1.6386 3 2.468 0 3 92.29 8 4 26 0
NPC225710 C7H6O5 Gallic Acid 170.02 -1.6207 1.68 0.002 2 4 97.99 5 1 12 0
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC25111 C20H18O4 4''-Deoxyterphenyllin 322.12 -1.0242 3.22 4.965 0 2 58.92 8 3 24 0
NPC272157 C20H18O6 3-Hydroxyterphenyllin 354.11 -1.9448 3 2.413 0 4 99.38 10 3 26 0
NPC295719 C25H26O5 Prenylterphenyllin 406.18 0.3929 3.66 4.417 0 3 79.15 13 3 30 0
NPC34431 C25H26O6 Prenylterphenyllin A 422.17 -0.0674 3.55 3.883 0 4 99.38 14 3 31 0
NPC49667 C25H24O6 Prenylcandidusin A 420.16 0.2388 3.55 3.938 0 3 92.29 12 4 31 0
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1
NPC65885 C27H28O6 Prenylcandidusin B 448.19 1.0558 3.77 4.547 0 1 70.29 14 4 33 0
NPC73505 C25H26O5 Prenylterphenyllin B 406.18 0.3929 3.66 4.417 0 3 79.15 13 3 30 0
NPC73535 C20H18O5 4''-Deoxy-3-Hydroxyterphenyllin 338.12 -1.4845 3.11 4.431 0 3 79.15 9 3 25 0
NPC8127 C26H26O6 Prenylcandidusin C 434.17 0.6473 3.66 4.028 0 2 81.29 13 4 32 0
NPC82217 C21H18O6 Candidusin C 366.11 -1.2301 3.11 2.987 0 2 81.29 9 4 27 0
NPC90615 C20H18O5 Terphenyllin 338.12 -1.4845 3.11 2.947 0 3 79.15 9 3 25 0

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