43 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.



16 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC95981
Formula: C21H23NO4

Ingredient ID: NPC93653
Formula: C17H15NO2

Ingredient ID: NPC88173
Formula: C24H41NO4

Ingredient ID: NPC76336
Formula: C10H8O4

Ingredient ID: NPC74539
Formula: C12H8O4

Ingredient ID: NPC61274
Formula: C17H14O4

Ingredient ID: NPC45084
Formula: C16H13NO2

Ingredient ID: NPC42591
Formula: C11H11NO3

Ingredient ID: NPC34770
Formula: C14H13NO4

Ingredient ID: NPC31557
Formula: C16H33NO

Ingredient ID: NPC31504
Formula: C7H9N3S

Ingredient ID: NPC308763
Formula: C22H26O7

Ingredient ID: NPC299582
Formula: C17H15NO2

Ingredient ID: NPC297423
Formula: C18H16O5

Ingredient ID: NPC287152
Formula: C12H11NO4

Ingredient ID: NPC281835
Formula: C12H8O5

Ingredient ID: NPC263265
Formula: C26H30O7

Ingredient ID: NPC258298
Formula: C18H17NO4

Ingredient ID: NPC257490
Formula: C16H13NO

Ingredient ID: NPC250476
Formula: C11H11NO2

Ingredient ID: NPC23610
Formula: C26H30O8

Ingredient ID: NPC234536
Formula: C13H10O5

Ingredient ID: NPC23387
Formula: C26H30O8

Ingredient ID: NPC231890
Formula: C18H16O6

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC214919
Formula: C19H18O6

Ingredient ID: NPC210460
Formula: C17H16O5

Ingredient ID: NPC209712
Formula: C26H30O7

Ingredient ID: NPC203950
Formula: C22H25NO5

Ingredient ID: NPC189095
Formula: C21H24O6

Ingredient ID: NPC155498
Formula: C7H13N3

Ingredient ID: NPC153690
Formula: C15H15NO2

Ingredient ID: NPC145729
Formula: C21H27N3O6

Ingredient ID: NPC144416
Formula: C19H19NO5

Ingredient ID: NPC138805
Formula: C26H30O7

Ingredient ID: NPC137157
Formula: C28H34O9

Ingredient ID: NPC131885
Formula: C13H11NO3

Ingredient ID: NPC123353
Formula: C18H16O5

Ingredient ID: NPC120942
Formula: C6H11NO2

Ingredient ID: NPC118418
Formula: C21H23NO5

Ingredient ID: NPC113549
Formula: C21H27N3O6

Ingredient ID: NPC105317
Formula: C20H21NO6

Ingredient ID: NPC100899
Formula: C20H21NO6

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC100899 C20H21NO6 371.1368874 -1.0289 2.89 1.967 2 1 75.25 6 3 27 0
NPC105317 C20H21NO6 5,6-dimethoxy-2-(2,3,6-trimethoxyphenyl)-1H-quinolin-4-one 371.1368874 -1.0289 2.89 1.967 2 1 75.25 6 3 27 0
NPC113549 C21H27N3O6 (E)-N-methyl-3-phenyl-N-[2-[1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazol-4-yl]ethyl]prop-2-enamide 417.1899856 -2.4877 2.78 2.561 9 4 128.28 8 3 30 0
NPC118418 C21H23NO5 2-(2-hydroxy-4-methoxyphenyl)-5,8-dimethoxy-3-propyl-1H-quinolin-4-one 369.1576228 -1.6488 3.11 3.106 2 2 77.02 6 3 27 0
NPC120942 C6H11NO2 (2S)-1-methylpyrrolidin-1-ium-2-carboxylate 129.0789786 -0.8458 1.79 0.054 3 1 40.54 1 1 9 0
NPC123353 C18H16O5 5,6-dimethoxy-2-(2-methoxyphenyl)chromen-4-one 312.0997736 -0.659 2.89 3.335 1 0 53.99 4 3 23 0
NPC131885 C13H11NO3 Gamma-Fagarine 229.07 -0.2577 2.45 2.068 1 0 44.49 4 3 17 0
NPC137157 C28H34O9 514.2202827 0.2549 3.55 2.498 8 0 121.64 3 6 37 0
NPC138805 C26H30O7 454.1991533 0.7128 3.55 2.69 6 0 95.34 1 6 33 0
NPC144416 C19H19NO5 2-(3,4-dimethoxyphenyl)-5,6-dimethoxy-1H-quinolin-4-one 341.1263227 -0.9771 2.89 2.411 2 1 66.02 5 3 25 0
NPC145729 C21H27N3O6 (E)-N-methyl-3-phenyl-N-[2-[1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]imidazol-4-yl]ethyl]prop-2-enamide 417.1899856 -2.4877 2.78 2.561 9 4 128.28 8 3 30 0
NPC153690 C15H15NO2 241.1102787 -0.4989 2.78 4.544 2 2 52.82 6 2 18 0
NPC155498 C7H13N3 139.1109474 -0.479 1.9 0.176 3 1 31.92 5 1 10 0
NPC189095 C21H24O6 9-[(E,6S)-6,7-dihydroxy-3,7-dimethyloct-2-enoxy]furo[3,2-g]chromen-7-one 372.1572885 0.2851 3.11 2.364 3 2 89.13 7 3 27 0
NPC203950 C22H25NO5 2-(3,4-dimethoxyphenyl)-5,8-dimethoxy-3-propyl-1H-quinolin-4-one 383.1732729 -1.2403 3.22 3.625 2 1 66.02 7 3 28 0
NPC209712 C26H30O7 454.1991533 0.7128 3.55 2.69 6 0 95.34 1 6 33 0
NPC210460 C17H16O5 Phellopterin 300.1 1.4778 2.78 2.447 1 0 57.9 7 3 22 0
NPC214919 C19H18O6 Zapotin 342.11 -0.7108 2.89 2.68 1 0 63.22 9 3 25 0
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC231890 C18H16O6 2-(2,6-dimethoxyphenyl)-5-hydroxy-6-methoxychromen-4-one 328.0946882 -1.1193 2.78 2.161 1 1 74.22 4 3 24 0
NPC23387 C26H30O8 470.19 -0.0535 3.44 1.449 7 1 115.57 7 6 34 0
NPC234536 C13H10O5 Isopimpinellin 246.05 0.0123 2.34 1.246 1 0 57.9 4 3 18 0
NPC23610 C26H30O8 470.1940679 -0.0535 3.44 1.449 7 1 115.57 1 6 34 0
NPC250476 C11H11NO2 4-Methoxy-1-Methylquinolin-2-One 189.08 -0.67 2.34 2.224 3 0 29.54 3 2 14 0
NPC257490 C16H13NO 1-Methyl-2-Phenylquinolin-4-One 235.1 -0.234 3 5.714 2 0 20.31 2 3 18 1
NPC258298 C18H17NO4 5,6-dimethoxy-2-(3-methoxyphenyl)-1H-quinolin-4-one 311.115758 -0.9253 2.89 2.855 2 1 56.79 4 3 23 0
NPC263265 C26H30O7 Obacunone 454.2 0.7128 3.55 2.69 6 0 95.34 6 6 33 0
NPC281835 C12H8O5 232.0371734 -0.3962 2.23 0.727 1 1 68.9 3 3 17 0
NPC287152 C12H11NO4 Casimiroin 233.07 -0.9727 2.23 1.052 3 0 48 3 3 17 0
NPC297423 C18H16O5 5,6-dimethoxy-2-(3-methoxyphenyl)chromen-4-one 312.0997736 -0.659 2.89 3.124 1 0 53.99 4 3 23 0
NPC299582 C17H15NO2 265.1102787 -0.2858 3 5.059 2 0 29.54 4 3 20 1
NPC308763 C22H26O7 402.1678532 0.2333 3.11 1.92 3 2 98.36 8 3 29 0
NPC31504 C7H9N3S 6-methyl-7,8-dihydroimidazo[1,5-c]pyrimidine-5-thione 167.0517183 -0.992 1.79 0.828 3 0 50.93 0 2 11 0
NPC31557 C16H33NO Palmitamide 255.26 -3.7395 3 7.976 2 2 44.08 16 0 18 2
NPC34770 C14H13NO4 Skimmianine 259.08 -0.3095 2.45 1.624 1 0 53.72 6 3 19 0
NPC42591 C11H11NO3 Edulitine 205.07 -0.5639 2.23 1.466 1 1 51.58 5 2 15 0
NPC45084 C16H13NO2 5-hydroxy-1-methyl-2-phenylquinolin-4-one 251.0946287 -0.6943 2.89 4.54 2 1 40.54 1 3 19 0
NPC61274 C17H14O4 5,6-dimethoxy-2-phenylchromen-4-one 282.0892089 -0.6072 2.89 4.201 1 0 44.76 3 3 21 0
NPC74539 C12H8O4 Bergapten 216.04 0.0641 2.34 1.69 1 0 48.67 2 3 16 0
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC88173 C24H41NO4 2-(dimethylamino)ethyl (2E)-2-[(1R,4aS,4bR,7S,8aR,10S,10aS)-7,10-dihydroxy-1,4b,8,8-tetramethyl-3,4,4a,5,6,7,8a,9,10,10a-decahydro-1H-phenanthren-2-ylidene]acetate 407.3035588 0.4905 3.55 3.389 5 2 70 5 3 29 0
NPC93653 C17H15NO2 6-Methoxy-1-Methyl-2-Phenylquinolin-4-One 265.11 -0.2858 3 5.059 2 0 29.54 4 3 20 1
NPC95981 C21H23NO4 5,8-dimethoxy-2-(3-methoxyphenyl)-3-propyl-1H-quinolin-4-one 353.1627082 -1.1885 3.22 4.069 2 1 56.79 6 3 26 0

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