33 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: NPC76145
Formula: C10H16

Ingredient ID: NPC69712
Formula: C19H21NO4

Ingredient ID: NPC68889
Formula: C10H18O

Ingredient ID: NPC67508
Formula: C10H18O

Ingredient ID: NPC66272
Formula: C21H21NO6

Ingredient ID: NPC60186
Formula: C20H21NO4

Ingredient ID: NPC54145
Formula: C10H20O2

Ingredient ID: NPC312904
Formula: C21H23NO6

Ingredient ID: NPC310907
Formula: C21H23NO6

Ingredient ID: NPC310210
Formula: C10H16O3

Ingredient ID: NPC306843
Formula: C19H21NO4

Ingredient ID: NPC289653
Formula: C10H18O2

Ingredient ID: NPC285267
Formula: C10H18O

Ingredient ID: NPC26240
Formula: C18H19NO4

Ingredient ID: NPC240308
Formula: C12H16O4

Ingredient ID: NPC237408
Formula: C22H25NO6

Ingredient ID: NPC222154
Formula: C21H19NO7

Ingredient ID: NPC221467
Formula: C9H14O3

Ingredient ID: NPC22098
Formula: C10H18O

Ingredient ID: NPC218742
Formula: C19H19NO4

Ingredient ID: NPC214584
Formula: C10H18O

Ingredient ID: NPC212794
Formula: C19H21NO4

Ingredient ID: NPC210560
Formula: C10H20O

Ingredient ID: NPC205421
Formula: C20H23NO4

Ingredient ID: NPC192135
Formula: C19H21NO4

Ingredient ID: NPC182907
Formula: C19H13NO5

Ingredient ID: NPC168683
Formula: C20H21NO5

Ingredient ID: NPC154847
Formula: C20H15NO7

Ingredient ID: NPC153066
Formula: C19H21NO4

Ingredient ID: NPC136508
Formula: C20H23NO4

Ingredient ID: NPC12319
Formula: C10H16O

Ingredient ID: NPC114526
Formula: C19H23NO3

Ingredient ID: NPC111888
Formula: C8H8O4

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC111888 C8H8O4 Vanillic Acid 168.04 -0.7519 1.9 0.626 2 2 66.76 5 1 12 0
NPC114526 C19H23NO3 (1R)-1-[(4-hydroxyphenyl)methyl]-6-methoxy-2,2-dimethyl-3,4-dihydro-1H-isoquinolin-2-ium-7-ol 314.1756186 -1.9325 3.11 2.284 0 2 49.69 3 3 23 0
NPC12319 C10H16O 152.1201151 2.4893 2.45 2.701 1 0 17.07 7 0 11 0
NPC136508 C20H23NO4 N-Methyllaurotetanine 341.16 -0.221 3.11 1.718 1 1 51.16 8 4 25 0
NPC153066 C19H21NO4 (6aS)-1,10-dimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-2,11-diol 327.1470582 -0.6295 3 1.199 1 2 62.16 2 4 24 0
NPC154847 C20H15NO7 381.0848518 -0.6823 2.78 1.245 6 0 91.37 3 5 28 0
NPC168683 C20H21NO5 355.1419728 3 4 0 53.99 2 5 26 0
NPC182907 C19H13NO5 335.0793725 -0.6701 2.89 1.754 2 0 66.88 4 5 25 0
NPC192135 C19H21NO4 327.1470582 -0.7569 3 1.479 1 2 59.95 7 4 24 0
NPC205421 C20H23NO4 Isocorydine 341.16 -0.221 3.11 1.718 1 1 51.16 8 4 25 0
NPC210560 C10H20O 156.1514153 1.4641 2.45 3.286 1 1 20.23 9 0 11 0
NPC212794 C19H21NO4 Isoboldine 327.15 -0.6295 3 1.199 1 2 62.16 7 4 24 0
NPC214584 C10H18O 154.1357652 1.1223 2.45 2.369 1 1 20.23 5 1 11 0
NPC218742 C19H19NO4 325.1314081 -0.4201 3 1.645 1 1 51.16 1 5 24 0
NPC22098 C10H18O 154.1357652 2.0432 2.45 3.591 1 0 17.07 8 0 11 0
NPC221467 C9H14O3 170.0942943 1.276 2.12 0.577 3 2 57.53 8 0 12 0
NPC222154 C21H19NO7 397.1161519 -0.4832 2.89 1.318 6 0 91.37 5 4 29 0
NPC237408 C22H25NO6 methyl (6aS)-1,2,9,10-tetramethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate 399.1681875 0.0903 3.11 2.197 3 0 66.46 6 4 29 0
NPC240308 C12H16O4 (E)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-ol 224.104859 -0.1363 2.34 1.21 1 1 47.92 5 1 16 0
NPC26240 C18H19NO4 Norboldine 313.13 -1.1654 2.89 0.96 1 3 70.95 6 4 23 0
NPC285267 C10H18O (1R,2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol 154.1357652 1.2373 2.45 2.395 1 1 20.23 1 1 11 0
NPC289653 C10H18O2 (Z)-dec-4-enoic acid 170.1306798 -0.0387 2.34 3.64 2 1 37.3 7 0 12 0
NPC306843 C19H21NO4 Boldine 327.15 -0.6295 3 1.199 1 2 62.16 7 4 24 0
NPC310210 C10H16O3 184.1099444 0.5742 2.23 1.091 3 1 46.53 5 1 13 0
NPC310907 C21H23NO6 methyl (6aS)-9-hydroxy-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate 385.1525375 -0.3182 3 1.678 3 1 77.46 5 4 28 0
NPC312904 C21H23NO6 385.1525375 -0.3182 3 1.678 3 1 77.46 5 4 28 0
NPC54145 C10H20O2 (1R,2R,5R)-2-(2-hydroxypropan-2-yl)-5-methylcyclohexan-1-ol 172.1463299 0.2172 2.34 2.308 2 2 40.46 1 1 12 0
NPC60186 C20H21NO4 Litebamine 339.15 -0.6299 3.11 1.847 1 2 62.16 7 4 25 0
NPC66272 C21H21NO6 383.1368874 -0.1088 3 2.124 3 0 66.46 4 5 28 0
NPC67508 C10H18O 154.1357652 1.2373 2.45 2.395 1 1 20.23 4 1 11 0
NPC68889 C10H18O Linalool (+) 154.14 2.4692 2.45 2.468 1 1 20.23 8 0 11 0
NPC69712 C19H21NO4 Laurotetanine 327.15 -0.7569 3 1.479 1 2 59.95 7 4 24 0
NPC76145 C10H16 Limonene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0

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