30 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.



10 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC72425
Formula: C31H20O10

Ingredient ID: NPC68779
Formula: C20H22O6

Ingredient ID: NPC54321
Formula: C24H30O8

Ingredient ID: NPC50898
Formula: C15H10O5

Ingredient ID: NPC50763
Formula: C10H12O4

Ingredient ID: NPC4796
Formula: C11H14O5

Ingredient ID: NPC47844
Formula: C7H10O5

Ingredient ID: NPC33090
Formula: C20H22O7

Ingredient ID: NPC32977
Formula: C9H8O3

Ingredient ID: NPC32799
Formula: C31H41NO12

Ingredient ID: NPC292152
Formula: C15H23NO5

Ingredient ID: NPC289825
Formula: C16H25NO5

Ingredient ID: NPC281864
Formula: C24H30O8

Ingredient ID: NPC2685
Formula: C7H8O4

Ingredient ID: NPC255598
Formula: C33H28O10

Ingredient ID: NPC248739
Formula: C34H26O10

Ingredient ID: NPC248681
Formula: C9H13NO

Ingredient ID: NPC234536
Formula: C13H10O5

Ingredient ID: NPC209970
Formula: C18H36O2

Ingredient ID: NPC206800
Formula: C9H8O2

Ingredient ID: NPC177793
Formula: C29H50O

Ingredient ID: NPC173412
Formula: C26H32O12

Ingredient ID: NPC171876
Formula: C31H41NO12

Ingredient ID: NPC171280
Formula: C9H8O2

Ingredient ID: NPC158027
Formula: C33H24O10

Ingredient ID: NPC155847
Formula: C10H15NO

Ingredient ID: NPC138299
Formula: C30H18O10

Ingredient ID: NPC120427
Formula: C31H41NO11

Ingredient ID: NPC1134
Formula: C31H41NO11

Ingredient ID: NPC100049
Formula: C32H22O10

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC100049 C32H22O10 7,7''-Di-O-Methylamentoflavone 566.12 -2.952 3.88 3.34 2 4 151.98 11 6 42 0
NPC1134 C31H41NO11 603.2679611 -2.2388 3.55 4.086 11 5 167.61 12 4 43 2
NPC120427 C31H41NO11 603.2679611 -2.2388 3.55 4.086 11 5 167.61 12 4 43 2
NPC138299 C30H18O10 Amentoflavone 538.09 -3.769 3.66 2.302 2 6 173.98 9 6 40 1
NPC155847 C10H15NO 165.1153641 0.0247 2.34 1.733 1 1 23.47 6 1 12 0
NPC158027 C33H24O10 580.136947 -2.5435 3.99 3.859 10 3 140.98 12 6 43 0
NPC171280 C9H8O2 (Z)-3-phenylprop-2-enoic acid 148.0524295 0.1213 2.23 3.904 2 1 37.3 2 1 11 0
NPC171876 C31H41NO12 619.2628758 -2.6991 3.44 1.639 11 6 187.84 12 4 44 3
NPC173412 C26H32O12 536.1893765 -3.2595 3 0.789 8 6 184.6 9 4 38 1
NPC177793 C29H50O (3R,8S,9S,10R,13R,14S,17R)-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-ol 414.3861662 1.3 4.54 11.595 1 1 20.23 6 4 30 1
NPC206800 C9H8O2 Cinnamic Acid 148.05 0.1213 2.23 3.904 2 1 37.3 3 1 11 0
NPC209970 C18H36O2 Stearic Acid 284.27 -4.4737 3.22 8.708 2 1 37.3 18 0 20 2
NPC234536 C13H10O5 Isopimpinellin 246.05 0.0123 2.34 1.246 1 0 57.9 4 3 18 0
NPC248681 C9H13NO 4-[2-(methylamino)ethyl]phenol 151.099714 -0.5112 2.23 1.494 1 2 32.26 3 1 11 0
NPC248739 C34H26O10 594.152597 -2.135 4.1 4.378 10 2 129.98 13 6 44 0
NPC255598 C33H28O10 (2S)-5-hydroxy-6-[5-[(2S)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-2-yl]-2-methoxyphenyl]-2-(4-hydroxyphenyl)-7-methoxy-2,3-dihydrochromen-4-one 584.1682471 -2.4033 3.99 2.519 2 3 140.98 6 6 43 0
NPC2685 C7H8O4 (1R,5S,6S)-5-hydroxy-7-oxabicyclo[4.1.0]hept-3-ene-3-carboxylic acid 156.0422587 -0.6708 1.79 -0.934 4 2 70.06 1 2 11 0
NPC281864 C24H30O8 446.1940679 -1.3088 3.22 1.834 2 0 73.84 14 4 32 0
NPC289825 C16H25NO5 311.1732729 -1.2222 2.56 1.328 5 3 82.39 5 2 22 0
NPC292152 C15H23NO5 (2R,3R,4R,5R,6S)-2-methyl-6-[4-[2-(methylamino)ethyl]phenoxy]oxane-3,4,5-triol 297.1576228 -1.7581 2.45 1.089 5 4 91.18 5 2 21 0
NPC32799 C31H41NO12 619.2628758 -2.6991 3.44 1.639 11 6 187.84 12 4 44 3
NPC32977 C9H8O3 164.0473441 -0.339 2.12 1.886 2 2 57.53 4 1 12 0
NPC33090 C20H22O7 (3S,4S)-3-hydroxy-3,4-bis[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one 374.136553 -1.5126 2.89 1.897 3 3 105.45 6 3 27 0
NPC47844 C7H10O5 174.0528234 -1.4373 1.68 -1.094 5 4 97.99 5 1 12 0
NPC4796 C11H14O5 3-Hydroxy-1-(4-Hydroxy-3,5-Dimethoxyphenyl)Propan-1-One 226.08 -1.2416 2.12 -0.432 2 2 75.99 9 1 16 0
NPC50763 C10H12O4 Beta-Hydroxypropiovanillone 196.07 -1.1898 2.12 0.012 2 2 66.76 7 1 14 0
NPC50898 C15H10O5 Apigenin 270.05 -1.8845 2.56 1.567 1 3 86.99 4 3 20 0
NPC54321 C24H30O8 (+)-Yangambin 446.19 -1.3088 3.22 1.834 2 0 73.84 14 4 32 0
NPC68779 C20H22O6 Matairesinol 358.14 -0.9121 3 2.415 2 2 85.22 10 3 26 0
NPC72425 C31H20O10 552.1056468 -3.3605 3.77 2.821 10 5 162.98 10 6 41 0

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