45 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: NPC96603
Formula: C20H23NO4

Ingredient ID: NPC88168
Formula: C18H22O6

Ingredient ID: NPC81246
Formula: C20H25NO4

Ingredient ID: NPC63034
Formula: C20H20O6

Ingredient ID: NPC58438
Formula: C20H22O6

Ingredient ID: NPC57512
Formula: C20H19NO4.ClH

Ingredient ID: NPC5687
Formula: C18H20O6

Ingredient ID: NPC50864
Formula: C20H19NO4

Ingredient ID: NPC44577
Formula: C20H20O6

Ingredient ID: NPC44101
Formula: C19H17NO4

Ingredient ID: NPC428
Formula: C19H23NO4

Ingredient ID: NPC37409
Formula: C20H22O6

Ingredient ID: NPC34861
Formula: C21H25NO4

Ingredient ID: NPC34216
Formula: C18H24O7

Ingredient ID: NPC306344
Formula: C17H24O10

Ingredient ID: NPC299059
Formula: C17H24O10

Ingredient ID: NPC291647
Formula: C19H23NO4

Ingredient ID: NPC291497
Formula: C30H53N5O7

Ingredient ID: NPC27435
Formula: C20H22O7

Ingredient ID: NPC260268
Formula: C27H44O7

Ingredient ID: NPC259732
Formula: C21H25NO4

Ingredient ID: NPC255677
Formula: C17H24O10

Ingredient ID: NPC250714
Formula: C20H22O6

Ingredient ID: NPC243743
Formula: C20H19NO4

Ingredient ID: NPC22149
Formula: C17H24O10

Ingredient ID: NPC202605
Formula: C20H19NO4

Ingredient ID: NPC189855
Formula: C20H22O6

Ingredient ID: NPC18335
Formula: C5H5N5

Ingredient ID: NPC178662
Formula: C35H53N5O7

Ingredient ID: NPC169498
Formula: C36H38O8

Ingredient ID: NPC16452
Formula: C21H22NO4

Ingredient ID: NPC164067
Formula: C20H22O6

Ingredient ID: NPC154072
Formula: C27H44O5

Ingredient ID: NPC147390
Formula: C19H23NO4

Ingredient ID: NPC142753
Formula: C35H60O6

Ingredient ID: NPC140697
Formula: C19H17NO4

Ingredient ID: NPC13826
Formula: C20H19NO4

Ingredient ID: NPC122078
Formula: C17H24O10

Ingredient ID: NPC12053
Formula: C20H23NO4

Ingredient ID: NPC11592
Formula: C17H24O10

Ingredient ID: NPC112206
Formula: C19H17NO4

Ingredient ID: NPC108721
Formula: C27H44O8

Ingredient ID: NPC10827
Formula: C20H22O6

Ingredient ID: NPC101342
Formula: C27H36O11

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC101342 C27H36O11 536.225762 -1.365 3.22 1.445 11 4 165.12 6 5 38 0
NPC10827 C20H22O6 358.1416384 -0.0653 3 2.488 5 1 85.97 1 3 26 0
NPC108721 C27H44O8 496.3036184 -1.7987 3.55 0.32 8 7 158.68 17 4 35 1
NPC112206 C19H17NO4 324.1235831 -2.2009 3 1.931 0 2 62.8 6 4 24 0
NPC11592 C17H24O10 methyl 7-(hydroxymethyl)-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 388.136947 -2.9212 2.23 -1.854 10 5 155.14 6 3 27 0
NPC12053 C20H23NO4 342.1705332 -1.9843 3.11 1.008 0 2 58.92 8 4 25 0
NPC122078 C17H24O10 methyl (1S,4aS,7aR)-7-(hydroxymethyl)-1-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 388.136947 -2.9212 2.23 -1.854 10 5 155.14 6 3 27 0
NPC13826 C20H19NO4 Jatrorrhizine 338.14 -1.5606 3.11 1.039 2 1 49.2 6 4 25 0
NPC140697 C19H17NO4 10-hydroxy-2,9-dimethoxy-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-one 324.1235831 -1.9691 3 0.52 2 2 60.2 2 4 24 0
NPC142753 C35H60O6 (3R,4S,5S,6R)-2-[[(3S,8S,9S,10R,13R,14S)-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-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol 576.4389896 -0.4469 4.65 10.487 6 4 99.38 9 5 41 1
NPC147390 C19H23NO4 (S)-Reticuline 329.16 -0.6295 3 2.031 1 2 62.16 9 3 24 0
NPC154072 C27H44O5 448.32 -0.5364 3.88 2.56 5 4 97.99 14 4 32 0
NPC164067 C20H22O6 358.1416384 -0.0653 3 2.488 5 1 85.97 1 3 26 0
NPC16452 C21H22NO4 Palmitine 352.15 -1.3839 3.22 2.969 0 0 40.8 8 4 26 0
NPC169498 C36H38O8 598.2566682 0.9654 4.54 5.042 7 2 111.52 8 7 44 1
NPC178662 C35H53N5O7 655.394499 -1.4451 3.99 5.468 12 2 152.41 16 3 47 2
NPC18335 C5H5N5 Adenine 135.05 -1.1703 1.46 -0.664 5 2 80.48 1 2 10 0
NPC189855 C20H22O6 358.1416384 -0.0653 3 2.488 5 1 85.97 1 3 26 0
NPC202605 C20H19NO4 Columbamine 338.14 -1.7924 3.11 2.45 0 1 51.8 7 4 25 0
NPC22149 C17H24O10 388.136947 -2.9212 2.23 -1.854 10 5 155.14 12 3 27 0
NPC243743 C20H19NO4 2,3,10-trimethoxy-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-9-one 338.1392331 -1.5305 3.11 1.692 2 1 49.2 3 4 25 0
NPC250714 C20H22O6 358.1416384 -0.0653 3 2.488 6 1 85.97 1 3 26 0
NPC255677 C17H24O10 388.136947 -2.9212 2.23 -1.854 10 5 155.14 12 3 27 0
NPC259732 C21H25NO4 (6aS)-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-11-ol 356.1861833 -1.5758 3.22 1.527 0 1 47.92 3 4 26 0
NPC260268 C27H44O7 20-Hydroxyecdysone 480.31 -1.1982 3.66 1.049 7 6 138.45 16 4 34 1
NPC27435 C20H22O7 374.136553 -0.788 2.89 1.33 6 1 98.5 1 4 27 0
NPC291497 C30H53N5O7 595.394499 0.545 3.44 4.184 12 5 189.25 8 1 42 1
NPC291647 C19H23NO4 1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol 329.1627082 -0.6295 3 2.031 1 2 62.16 4 3 24 0
NPC299059 C17H24O10 methyl (1S,4aS,7aS)-7-(hydroxymethyl)-1-[(2S,4R,5S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-4-carboxylate 388.136947 -2.9212 2.23 -1.854 10 5 155.14 6 3 27 0
NPC306344 C17H24O10 Methyl (1S,4As,7As)-7-(Hydroxymethyl)-1-[3,4,5-Trihydroxy-6-(Hydroxymethyl)Oxan-2-Yl]Oxy-1,4A,5,7A-Tetrahydrocyclopenta[C]Pyran-4-Carboxylate 388.14 -2.9212 2.23 -1.854 10 5 155.14 12 3 27 0
NPC34216 C18H24O7 352.1522031 0.9054 2.67 0.211 7 3 97.61 0 1 25 0
NPC34861 C21H25NO4 (6aS)-1,2,10-trimethoxy-6,6-dimethyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-ium-9-ol 356.1861833 -1.5758 3.22 1.527 0 1 47.92 3 4 26 0
NPC37409 C20H22O6 358.1416384 -0.0653 3 2.488 5 1 85.97 1 3 26 0
NPC428 C19H23NO4 (R)-Reticuline 329.16 -0.6295 3 2.031 1 2 62.16 9 3 24 0
NPC44101 C19H17NO4 2-hydroxy-9,10-dimethoxy-6,7-dihydro-5H-isoquinolino[2,1-b]isoquinolin-7-ium-3-one 324.1235831 -1.6251 3 1.147 2 2 60.2 2 4 24 0
NPC44577 C20H20O6 356.1259884 0.3548 3 1.962 5 1 85.97 4 3 26 0
NPC50864 C20H19NO4 2,3,9-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-7-ium-10-ol 338.1392331 0.071 3.11 2.169 2 1 30.93 3 4 25 0
NPC5687 C18H20O6 332.1259884 0.9086 2.78 1.345 6 0 77.66 2 4 24 0
NPC57512 C20H19NO4.ClH 337.1314081 -0.0734 3.11 2.573 3 0 48 6 4 25 0
NPC58438 C20H22O6 358.1416384 -0.0653 3 2.488 5 1 85.97 1 3 26 0
NPC63034 C20H20O6 356.1259884 0.3548 3 1.962 5 1 85.97 1 3 26 0
NPC81246 C20H25NO4 (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol 344.1861833 -1.9843 3.11 1.84 0 2 58.92 4 3 25 0
NPC88168 C18H22O6 334.1416384 0.7684 2.78 1.122 6 1 80.82 2 4 24 0
NPC96603 C20H23NO4 342.1705332 -1.9843 3.11 1.008 0 2 58.92 8 4 25 0

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