29 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.



15 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC92765
Formula: C39H56O4

Ingredient ID: NPC91773
Formula: C30H48O5

Ingredient ID: NPC84319
Formula: C30H48O4

Ingredient ID: NPC67037
Formula: C20H18O11

Ingredient ID: NPC51700
Formula: C30H48O3

Ingredient ID: NPC50504
Formula: C21H20O10

Ingredient ID: NPC46824
Formula: C30H48O4

Ingredient ID: NPC39479
Formula: C32H50O6

Ingredient ID: NPC35212
Formula: C39H56O5

Ingredient ID: NPC32994
Formula: C30H48O5

Ingredient ID: NPC313163
Formula: C21H20O10

Ingredient ID: NPC292603
Formula: C36H56O11

Ingredient ID: NPC286245
Formula: C26H34O10

Ingredient ID: NPC278091
Formula: C30H50O3

Ingredient ID: NPC276195
Formula: C15H22O9

Ingredient ID: NPC264317
Formula: C30H48O3

Ingredient ID: NPC257497
Formula: C36H56O12

Ingredient ID: NPC225815
Formula: C28H38O12

Ingredient ID: NPC220498
Formula: C30H48O4

Ingredient ID: NPC218041
Formula: C28H38O13

Ingredient ID: NPC203500
Formula: C21H20O11

Ingredient ID: NPC183252
Formula: C30H46O7

Ingredient ID: NPC178383
Formula: C30H50O2

Ingredient ID: NPC177498
Formula: C30H46O6

Ingredient ID: NPC142415
Formula: C30H48O3

Ingredient ID: NPC127683
Formula: C39H56O4

Ingredient ID: NPC126029
Formula: C15H14O6

Ingredient ID: NPC122559
Formula: C39H56O4

Ingredient ID: NPC101475
Formula: C30H50O2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC101475 C30H50O2 Erythrodiol 442.38 1.9209 4.54 9.359 2 2 40.46 10 5 32 1
NPC122559 C39H56O4 [(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,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]chrysen-9-yl] (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate 588.4178603 3.041 5.31 13.862 2 2 66.76 5 6 43 1
NPC126029 C15H14O6 (-)-Epicatechin 290.08 -2.494 2.45 0.406 1 5 110.38 6 3 21 0
NPC127683 C39H56O4 [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (Z)-3-(4-hydroxyphenyl)prop-2-enoate 588.4178603 2.4106 5.31 12.42 3 2 66.76 6 6 43 1
NPC142415 C30H48O3 Oleanolic_Acid 456.36 2.1298 4.43 9.052 3 2 57.53 10 5 33 1
NPC177498 C30H46O6 (2R,3R,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid 502.3294392 1.0253 4.1 7.23 6 4 115.06 2 5 36 1
NPC178383 C30H50O2 Betulin 442.38 2.1406 4.54 9.714 2 2 40.46 10 5 32 1
NPC183252 C30H46O7 (2R,3R,4R,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4,8a-dicarboxylic acid 518.3243538 -0.0598 3.99 4.956 7 5 135.29 2 5 37 0
NPC203500 C21H20O11 Kaempferol 7-O-Beta-D-Glucopyranoside 448.1 -4.0878 2.56 0.807 7 7 186.37 11 4 32 1
NPC218041 C28H38O13 (2R,3R,4S,5S,6R)-2-[[(1S,2R,3R)-7-Hydroxy-1-(4-Hydroxy-3,5-Dimethoxyphenyl)-3-(Hydroxymethyl)-6,8-Dimethoxy-1,2,3,4-Tetrahydronaphthalen-2-Yl]Methoxy]-6-(Hydroxymethyl)Oxane-3,4,5-Triol 582.23 -4.0646 3.11 -0.935 7 7 196.99 21 4 41 1
NPC220498 C30H48O4 Alphitolic Acid 472.36 2.1268 4.32 8.595 4 3 77.76 11 5 34 1
NPC225815 C28H38O12 (-)-9'-O-(Alpha-L-Rhamnopyranosyl)Lyoniresinol 566.24 -3.5646 3.22 -0.232 6 6 176.76 20 4 40 1
NPC257497 C36H56O12 (2R,3R,4R,4aR,6aR,6bS,8aS,11R,12R,12aS,14aR,14bR)-2,3,12-trihydroxy-4,6a,6b,11,12,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,11,12a,14,14a-tetradecahydropicene-4-carboxylic acid 680.3771772 -1.9642 4.1 3.65 12 8 214.44 5 6 48 2
NPC264317 C30H48O3 Betulinic Acid 456.36 2.3495 4.43 9.407 3 2 57.53 10 5 33 1
NPC276195 C15H22O9 3,4,5-Trimethoxyphenyl-Beta-D-Glucopyranoside 346.13 -2.3626 2.12 -0.607 5 4 127.07 13 2 24 0
NPC278091 C30H50O3 23-Hydroxybetulin 458.38 1.0499 4.43 9.011 3 3 60.69 11 5 33 1
NPC286245 C26H34O10 Aviculin 506.22 -3.461 3.22 0.656 6 6 158.3 16 4 36 1
NPC292603 C36H56O11 (2R,3R,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-2,3-dihydroxy-4,6a,6b,11,11,14b-hexamethyl-8a-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycarbonyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicene-4-carboxylic acid 664.3822626 -0.8791 4.21 5.924 11 7 194.21 5 6 47 3
NPC313163 C21H20O10 432.1056468 -3.7945 2.67 0.404 10 6 166.14 10 4 31 1
NPC32994 C30H48O5 488.3501746 0.822 4.21 5.966 5 4 97.99 1 5 35 1
NPC35212 C39H56O5 604.4127749 1.9503 5.2 11.675 3 3 86.99 15 6 44 1
NPC39479 C32H50O6 530.3607393 1.5273 4.32 7.872 6 2 93.06 4 5 38 1
NPC46824 C30H48O4 472.35526 1.2611 4.32 8.142 4 3 77.76 1 5 34 1
NPC50504 C21H20O10 7-hydroxy-3-(4-hydroxyphenyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 432.1056468 -3.7945 2.67 0.404 6 6 166.14 4 4 31 1
NPC51700 C30H48O3 Ursolic Acid 456.36 1.4838 4.43 8.954 3 2 57.53 10 5 33 1
NPC67037 C20H18O11 Avicularin 434.08 -4.3814 2.45 -0.111 6 7 186.37 11 4 31 1
NPC84319 C30H48O4 Maslinic Acid 472.36 1.9071 4.32 8.24 4 3 77.76 11 5 34 1
NPC91773 C30H48O5 488.3501746 0.822 4.21 5.966 5 4 97.99 1 5 35 1
NPC92765 C39H56O4 [(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate 588.4178603 2.4106 5.31 12.42 3 2 66.76 6 6 43 1

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