26 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.



7 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC96115
Formula: C37H40N2O7

Ingredient ID: NPC94850
Formula: C37H36N2O6

Ingredient ID: NPC8210
Formula: C40H46Cl2N2O6

Ingredient ID: NPC78990
Formula: C20H23NO4

Ingredient ID: NPC69928
Formula: C33H24O10

Ingredient ID: NPC43860
Formula: C37H36N2O7

Ingredient ID: NPC3945
Formula: C34H26O10

Ingredient ID: NPC38977
Formula: C38H42N2O6

Ingredient ID: NPC30101
Formula: C39H45N2O6

Ingredient ID: NPC290582
Formula: C37H40N2O6

Ingredient ID: NPC268087
Formula: C37H34N2O7

Ingredient ID: NPC254196
Formula: C19H11NO6

Ingredient ID: NPC25314
Formula: C33H24O10

Ingredient ID: NPC231988
Formula: C19H19NO3

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC217748
Formula: C37H40N2O6

Ingredient ID: NPC21581
Formula: C20H23NO4

Ingredient ID: NPC202348
Formula: C36H38N2O6

Ingredient ID: NPC167990
Formula: C40H46Cl2N2O6

Ingredient ID: NPC146104
Formula: C37H38N2O7

Ingredient ID: NPC145304
Formula: C19H19NO2

Ingredient ID: NPC13826
Formula: C20H19NO4

Ingredient ID: NPC13199
Formula: C34H26O10

Ingredient ID: NPC126393
Formula: C38H42N2O7

Ingredient ID: NPC115284
Formula: C38H42N2O6

Ingredient ID: NPC10908
Formula: C38H42N2O6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC10908 C38H42N2O6 Isotetrandrine 622.3 0.274 4.76 6.098 2 0 61.86 10 6 46 1
NPC115284 C38H42N2O6 Fanchinin 622.3 0.274 4.76 6.098 2 0 61.86 10 6 46 1
NPC126393 C38H42N2O7 638.2992017 4.65 7 0 75.69 4 6 47 0
NPC13199 C34H26O10 594.152597 -2.2239 4.1 4.708 2 2 129.98 7 6 44 0
NPC13826 C20H19NO4 Jatrorrhizine 338.14 -1.5606 3.11 1.039 2 1 49.2 6 4 25 0
NPC145304 C19H19NO2 N,N-Dimethyl-2-Naphtho[2,1-G][1,3]Benzodioxol-5-Ylethanamine 293.14 0.1823 3.22 5.276 1 0 21.7 5 4 22 1
NPC146104 C37H38N2O7 8-[[(1S)-1-[[4-[5-(hydroxymethyl)-2-methoxyphenoxy]phenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-6-methoxy-2-methylisoquinolin-2-ium-7-ol 623.2757266 -2.2766 4.54 5.381 4 2 91.13 10 6 46 1
NPC167990 C40H46Cl2N2O6 720.2732926 -1.5618 4.76 6.53 0 0 55.38 6 6 50 1
NPC202348 C36H38N2O6 594.2729869 -0.6704 4.54 5.34 2 2 81.65 3 6 44 1
NPC21581 C20H23NO4 (7R,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol 342.1705332 -2.075 3.11 1.319 0 2 58.92 2 4 25 0
NPC217748 C37H40N2O6 Fangchinoline 608.29 -0.1345 4.65 5.579 2 1 72.86 9 6 45 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC231988 C19H19NO3 309.1364935 -0.584 3.11 4.246 2 1 41.93 3 4 23 0
NPC25314 C33H24O10 5-hydroxy-3-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one 580.136947 -2.6324 3.99 4.189 2 3 140.98 6 6 43 0
NPC254196 C19H11NO6 349.0586371 -1.4017 2.78 1.297 3 0 74.3 0 6 26 0
NPC268087 C37H34N2O7 618.2366014 -0.3845 4.54 5.688 3 0 88.58 4 6 46 1
NPC290582 C37H40N2O6 608.29 -0.1345 4.65 5.579 2 1 72.86 9 6 45 1
NPC30101 C39H45N2O6 637.3277622 -1.0808 4.87 5.907 1 0 58.62 4 6 47 1
NPC38977 C38H42N2O6 623.3121121 -1.4893 4.76 5.388 1 1 69.62 3 6 46 1
NPC3945 C34H26O10 5-hydroxy-3-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-6-yl]-7-methoxy-2-(4-methoxyphenyl)chromen-4-one 594.152597 -2.2239 4.1 4.708 2 2 129.98 7 6 44 0
NPC43860 C37H36N2O7 3-[4-[[(1S)-7-(7-hydroxy-6-methoxy-2-methylisoquinolin-2-ium-8-yl)oxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-methoxybenzaldehyde 621.2600765 -2.0203 4.54 6.052 4 1 87.97 10 6 46 1
NPC69928 C33H24O10 580.136947 -2.6324 3.99 4.189 2 3 140.98 6 6 43 0
NPC78990 C20H23NO4 (7S,13aS)-3,10-dimethoxy-7-methyl-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-2,9-diol 342.1705332 -2.075 3.11 1.319 0 2 58.92 2 4 25 0
NPC8210 C40H46Cl2N2O6 720.2732926 -1.5618 4.76 6.53 0 0 55.38 6 6 50 1
NPC94850 C37H36N2O6 605.2651619 -1.5067 4.65 6.626 3 1 70.9 3 6 45 1
NPC96115 C37H40N2O7 624.2835516 4.54 7 1 86.69 3 6 46 0

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