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.



8 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC85813
Formula: C18H32O2

Ingredient ID: NPC83079
Formula: C43H74O10

Ingredient ID: NPC80937
Formula: C51H86O15

Ingredient ID: NPC70874
Formula: C47H84O15

Ingredient ID: NPC44469
Formula: C39H74O10

Ingredient ID: NPC38295
Formula: C51H84O15

Ingredient ID: NPC36061
Formula: C16H30O2

Ingredient ID: NPC31298
Formula: C51H88O15

Ingredient ID: NPC309781
Formula: C43H76O10

Ingredient ID: NPC301585
Formula: C14H28O2

Ingredient ID: NPC295209
Formula: C39H72O10

Ingredient ID: NPC294548
Formula: C18H30O2

Ingredient ID: NPC282197
Formula: C47H82O15

Ingredient ID: NPC281972
Formula: C18H34O2

Ingredient ID: NPC27533
Formula: C43H80O12S

Ingredient ID: NPC272429
Formula: C41H74O10

Ingredient ID: NPC261831
Formula: C18H34O2

Ingredient ID: NPC253852
Formula: C45H82O15

Ingredient ID: NPC236649
Formula: C45H74O10

Ingredient ID: NPC228776
Formula: C14H20O2

Ingredient ID: NPC223377
Formula: C43H76O10

Ingredient ID: NPC21693
Formula: C43H78O10

Ingredient ID: NPC216630
Formula: C16H32O2

Ingredient ID: NPC208327
Formula: C11H20O

Ingredient ID: NPC191983
Formula: C41H76O10

Ingredient ID: NPC178336
Formula: C47H86O15

Ingredient ID: NPC169061
Formula: C41H72O10

Ingredient ID: NPC142742
Formula: C45H84O15

Ingredient ID: NPC140992
Formula: C49H88O15

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC140992 C49H88O15 [(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate 916.6123221 -8.5301 5.2 12.55 15 7 231.13 40 2 64 4
NPC142742 C45H84O15 864.581022 -10.9033 4.76 11.117 15 7 231.13 38 2 60 4
NPC169061 C41H72O10 724.5125485 -5.3566 4.87 12.622 10 4 151.98 34 1 51 2
NPC178336 C47H86O15 890.5966721 -9.3483 4.98 11.739 15 7 231.13 39 2 62 4
NPC191983 C41H76O10 728.5438486 -7.6014 4.87 13.276 10 4 151.98 36 1 51 2
NPC208327 C11H20O (1S,3S,4S)-3,4,7,7-tetramethylbicyclo[2.2.1]heptan-3-ol 168.1514153 0.955 2.56 3.151 1 1 20.23 0 2 12 0
NPC216630 C16H32O2 Palmitic Acid 256.24 -3.8977 3 7.57 2 1 37.3 16 0 18 2
NPC21693 C43H78O10 (2S)-1-Linoleoyl-2-Palmitoyl-3-O-Beta-D-Galactopyranosylglycerol 754.56 -6.7832 5.09 14.087 10 4 151.98 43 1 53 2
NPC223377 C43H76O10 752.5438486 -4.6522 5.09 13.571 10 4 151.98 36 1 53 2
NPC228776 C14H20O2 220.1463299 2.9158 2.78 2.894 2 0 34.14 8 1 16 0
NPC236649 C45H74O10 774.5281986 -2.1328 5.31 13.728 10 4 151.98 41 1 55 2
NPC253852 C45H82O15 862.5653719 -8.7723 4.76 10.601 15 7 231.13 37 2 60 4
NPC261831 C18H34O2 Oleic Acid 282.26 -2.3427 3.22 8.192 2 1 37.3 17 0 20 2
NPC272429 C41H74O10 [(2S)-2-tetradecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z)-octadeca-9,12-dienoate 726.5281986 -6.2072 4.87 12.949 10 4 151.98 35 1 51 2
NPC27533 C43H80O12S 819.529224 -8.9364 4.76 13.582 12 3 197.33 39 1 56 3
NPC281972 C18H34O2 Vaccenic Acid 282.26 -2.3427 3.22 8.192 2 1 37.3 17 0 20 2
NPC282197 C47H82O15 [(2S)-2-tetradecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate 886.5653719 -7.1035 4.98 11.085 15 7 231.13 37 2 62 4
NPC294548 C18H30O2 Linolenic Acid 278.22 -0.0979 3.22 7.538 2 1 37.3 15 0 20 2
NPC295209 C39H72O10 700.5125485 -7.0254 4.65 12.138 10 4 151.98 34 1 49 2
NPC301585 C14H28O2 Myristic Acid 228.21 -3.3217 2.78 6.432 2 1 37.3 14 0 16 2
NPC309781 C43H76O10 [(2S)-2-hexadecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] (9Z,12Z,15Z)-octadeca-9,12,15-trienoate 752.5438486 -5.9326 5.09 13.76 10 4 151.98 36 1 53 2
NPC31298 C51H88O15 940.6123221 -5.5809 5.42 12.845 15 7 231.13 40 2 66 4
NPC36061 C16H30O2 Palmitoleic Acid 254.22 -1.7667 3 7.054 2 1 37.3 15 0 18 2
NPC38295 C51H84O15 936.581022 -3.8797 5.42 12.191 15 7 231.13 47 2 66 4
NPC44469 C39H74O10 [(2S)-2-tetradecanoyloxy-3-[(2R,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropyl] hexadecanoate 702.5281986 -9.1564 4.65 12.654 10 4 151.98 35 1 49 2
NPC70874 C47H84O15 888.581022 -7.9541 4.98 11.412 15 7 231.13 38 2 62 4
NPC80937 C51H86O15 938.5966721 -4.7303 5.42 12.518 15 7 231.13 39 2 66 4
NPC83079 C43H74O10 750.5281986 -3.8016 5.09 13.244 10 4 151.98 35 1 53 2
NPC85813 C18H32O2 Linoleic Acid 280.24 -0.9485 3.22 7.865 2 1 37.3 16 0 20 2

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