22 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.



9 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC77020
Formula: C30H46O4

Ingredient ID: NPC75666
Formula: C21H14O4

Ingredient ID: NPC73110
Formula: C15H10O4

Ingredient ID: NPC73061
Formula: C15H8O5

Ingredient ID: NPC67172
Formula: C16H12O4

Ingredient ID: NPC54000
Formula: C19H32O2

Ingredient ID: NPC53206
Formula: C15H10O4

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC3356
Formula: C15H10O5

Ingredient ID: NPC3209
Formula: C60H98O6

Ingredient ID: NPC274050
Formula: C30H46O3

Ingredient ID: NPC262970
Formula: C39H54O6

Ingredient ID: NPC234617
Formula: C30H46O3

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC212495
Formula: C21H36O2

Ingredient ID: NPC208806
Formula: C16H10O5

Ingredient ID: NPC206264
Formula: C15H16O9

Ingredient ID: NPC204029
Formula: C31H48O4

Ingredient ID: NPC203063
Formula: C14H8O5

Ingredient ID: NPC190119
Formula: C30H44O4

Ingredient ID: NPC180859
Formula: C39H54O6

Ingredient ID: NPC142415
Formula: C30H48O3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC142415 C30H48O3 Oleanolic_Acid 456.36 2.1298 4.43 9.052 3 2 57.53 10 5 33 1
NPC180859 C39H54O6 (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a-[[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 618.3920394 1.3091 5.09 9.571 5 3 104.06 6 6 45 1
NPC190119 C30H44O4 468.3239599 1.1984 4.32 6.374 4 0 55.9 0 7 34 1
NPC203063 C14H8O5 1,2,3-Trihydroxy-Anthraquinone 256.04 -1.9085 2.45 1.621 2 3 94.83 3 3 19 0
NPC204029 C31H48O4 (1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-formyloxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-4a-carboxylic acid 484.35526 1.7841 4.43 9.458 4 1 63.6 3 5 35 1
NPC206264 C15H16O9 Esculin 340.08 -2.3975 2.12 -0.539 6 5 145.91 8 3 24 0
NPC208806 C16H10O5 Damnacanthal 282.05 -1.2321 2.67 2.325 3 1 80.67 4 3 21 0
NPC212495 C21H36O2 henicos-20-en-6-ynoic acid 320.2715304 -1.9827 3.55 8.839 2 1 37.3 16 0 23 2
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC234617 C30H46O3 454.3446953 1.4808 4.43 7.884 3 1 46.53 8 6 33 1
NPC262970 C39H54O6 (4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-6a-[[(Z)-3-(4-hydroxyphenyl)prop-2-enoyl]oxymethyl]-2,2,6b,9,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid 618.3920394 1.3091 5.09 9.571 5 3 104.06 6 6 45 1
NPC274050 C30H46O3 Ursonic Acid 454.34 2.0535 4.43 8.347 3 1 54.37 9 5 33 1
NPC3209 C60H98O6 2,3-di(nonadec-18-en-4-ynoyloxy)propyl nonadec-18-en-4-ynoate 914.7363409 -3.8012 7.4 23.683 6 0 78.9 50 0 66 2
NPC3356 C15H10O5 1,2,5-trihydroxy-6-methylanthracene-9,10-dione 270.0528234 -1.2665 2.56 0.882 2 3 94.83 0 3 20 0
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1
NPC53206 C15H10O4 Rubiadin 254.06 -0.8062 2.67 1.838 2 2 74.6 3 3 19 0
NPC54000 C19H32O2 nonadec-18-en-4-ynoic acid 292.2402303 -1.4067 3.33 7.701 2 1 37.3 14 0 21 2
NPC67172 C16H12O4 3-hydroxy-1-methoxy-2-methylanthracene-9,10-dione 268.0735589 -0.3977 2.78 2.357 2 1 63.6 1 3 20 0
NPC73061 C15H8O5 1,3-Dihydroxy-2-Formylanthraquinone 268.04 -1.6406 2.56 2.235 3 2 91.67 3 3 20 0
NPC73110 C15H10O4 1,2-dihydroxy-6-methylanthracene-9,10-dione 254.0579088 -0.8062 2.67 2.478 2 2 74.6 0 3 19 0
NPC75666 C21H14O4 2-benzyl-1,3-dihydroxyanthracene-9,10-dione 330.0892089 -0.992 3.33 5.314 2 2 74.6 2 4 25 1
NPC77020 C30H46O4 470.33961 0.6287 4.32 6.981 4 1 59.06 0 7 34 1

Download Data

All data can be downloaded by:

   → Selecting data type in the below download table
   → Then click the download button.
Data Section
Select to Download
1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties