18 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.



14 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC82483
Formula: C18H20O6

Ingredient ID: NPC475961
Formula: C18H22O4

Ingredient ID: NPC475169
Formula: C17H20O4

Ingredient ID: NPC474933
Formula: C16H18O3

Ingredient ID: NPC474651
Formula: C22H24O8

Ingredient ID: NPC474623
Formula: C22H24O8

Ingredient ID: NPC470633
Formula: C17H16O6

Ingredient ID: NPC470626
Formula: C17H20O4

Ingredient ID: NPC37502
Formula: C17H12O8

Ingredient ID: NPC262253
Formula: C18H20O5

Ingredient ID: NPC254625
Formula: C19H24O5

Ingredient ID: NPC236791
Formula: C18H22O6

Ingredient ID: NPC233526
Formula: C17H20O4

Ingredient ID: NPC231772
Formula: C16H12O5

Ingredient ID: NPC228769
Formula: C17H16O5

Ingredient ID: NPC208950
Formula: C17H20O5

Ingredient ID: NPC170844
Formula: C18H22O6

Ingredient ID: NPC136319
Formula: C16H18O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC136319 C16H18O4 Combretastatin B-4 274.12 -0.8994 2.78 3.513 0 2 58.92 9 2 20 0
NPC170844 C18H22O6 Combretastatin 334.14 -1.1158 2.78 1.707 1 2 77.38 13 2 24 0
NPC208950 C17H20O5 Combretastatin B-3 304.13 -0.9512 2.78 3.069 0 2 68.15 11 2 22 0
NPC228769 C17H16O5 Combretastatin A-2 300.1 -0.3988 2.78 3.302 0 1 57.15 7 3 22 0
NPC231772 C16H12O5 Acacetin 284.07 -1.476 2.67 2.086 1 2 75.99 5 3 21 0
NPC233526 C17H20O4 4-[2-(3,4,5-Trimethoxyphenyl)Ethyl]Phenol 288.14 -0.4909 2.89 3.814 0 1 47.92 10 2 21 0
NPC236791 C18H22O6 Combretastatin B-1 334.14 -1.003 2.78 2.414 0 2 77.38 13 2 24 0
NPC254625 C19H24O5 5-(3,4-Dimethoxyphenethyl)-1,2,3-Trimethoxybenzene 332.16 -0.1342 3 3.678 0 0 46.15 13 2 24 0
NPC262253 C18H20O5 Combretastatin A4 316.13 -0.1997 2.89 3.375 0 1 57.15 11 2 23 0
NPC37502 C17H12O8 344.0532173 -0.7979 2.45 0.653 2 1 100.52 7 4 25 0
NPC470626 C17H20O4 5-[2-(3,4-Dimethoxyphenyl)Ethyl]-2-Methoxyphenol 288.14 -0.4909 2.89 3.603 0 1 47.92 10 2 21 0
NPC470633 C17H16O6 316.09 -0.8591 2.67 2.339 0 2 77.38 8 3 23 0
NPC474623 C22H24O8 416.15 0.0982 3 3.681 2 0 89.52 16 2 30 0
NPC474651 C22H24O8 416.15 0.0982 3 3.681 2 0 89.52 16 2 30 0
NPC474933 C16H18O3 Dihydropterostilbene 258.13 -0.4391 2.89 4.258 0 1 38.69 8 2 19 0
NPC475169 C17H20O4 5-[2-(3,5-Dimethoxyphenyl)Ethyl]-2-Methoxyphenol 288.14 -0.4909 2.89 3.603 0 1 47.92 10 2 21 0
NPC475961 C18H22O4 3,3',4',5-Tetramethoxybibenzyl 302.15 -0.0824 3 4.122 0 0 36.92 11 2 22 0
NPC82483 C18H20O6 Combretastatin A-1 332.13 -0.66 2.78 2.63 0 2 77.38 12 2 24 0

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