62 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.



17 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC9514
Formula: C27H36O6

Ingredient ID: NPC94699
Formula: C19H38O4

Ingredient ID: NPC87090
Formula: C22H32O4

Ingredient ID: NPC83216
Formula: C30H48O3

Ingredient ID: NPC76336
Formula: C10H8O4

Ingredient ID: NPC6633
Formula: C18H14O5

Ingredient ID: NPC57026
Formula: C27H36O6

Ingredient ID: NPC471162
Formula: C35H46O6

Ingredient ID: NPC40394
Formula: C30H50O2

Ingredient ID: NPC37968
Formula: C29H36O5

Ingredient ID: NPC34555
Formula: C20H26O3

Ingredient ID: NPC34125
Formula: C30H62O

Ingredient ID: NPC282307
Formula: C25H24O6

Ingredient ID: NPC280149
Formula: C20H28O3

Ingredient ID: NPC271900
Formula: C27H36O7

Ingredient ID: NPC2596
Formula: C16H16O4

Ingredient ID: NPC25555
Formula: C30H48O4

Ingredient ID: NPC235448
Formula: C23H24O6

Ingredient ID: NPC234452
Formula: C21H20O11

Ingredient ID: NPC232888
Formula: C27H34O5

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC22836
Formula: C30H46O5

Ingredient ID: NPC221111
Formula: C20H28O3

Ingredient ID: NPC211718
Formula: C30H48O4

Ingredient ID: NPC211485
Formula: C30H48O4

Ingredient ID: NPC206800
Formula: C9H8O2

Ingredient ID: NPC202824
Formula: C24H34O5

Ingredient ID: NPC202093
Formula: C29H38O6

Ingredient ID: NPC201731
Formula: C25H24O5

Ingredient ID: NPC191570
Formula: C29H40O6

Ingredient ID: NPC188433
Formula: C23H22O6

Ingredient ID: NPC178383
Formula: C30H50O2

Ingredient ID: NPC167565
Formula: C28H38O6

Ingredient ID: NPC145882
Formula: C29H38O6

Ingredient ID: NPC142415
Formula: C30H48O3

Ingredient ID: NPC142149
Formula: C30H48O4

Ingredient ID: NPC137324
Formula: C50H44O10

Ingredient ID: NPC129614
Formula: C18H14O5

Ingredient ID: NPC122663
Formula: C32H44O7

Ingredient ID: NPC117417
Formula: C27H34O5

Ingredient ID: NPC116592
Formula: C29H38O7

Ingredient ID: NPC115608
Formula: C30H48O2

Ingredient ID: NPC110021
Formula: C30H48O3

Ingredient ID: NPC108831
Formula: C21H20O10

Ingredient ID: NPC101957
Formula: C18H14O5

Ingredient ID: NPC101475
Formula: C30H50O2

Ingredient ID: NPC10031
Formula: C30H50O2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC10031 C30H50O2 (3S,5R,10S,13S,14S,17S)-17-[(2S,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,7,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-3-ol 442.3810808 2.4109 4.54 8.225 2 2 40.46 5 4 32 1
NPC101475 C30H50O2 Erythrodiol 442.38 1.9209 4.54 9.359 2 2 40.46 10 5 32 1
NPC101957 C18H14O5 5,8-Dihydroxy-2,2-Dimethylpyrano[3,2-B]Xanthen-6-One 310.08 -0.4307 2.89 2.014 1 2 75.99 4 4 23 0
NPC108831 C21H20O10 432.1056468 -3.5878 2.67 1.51 10 6 166.14 10 4 31 1
NPC110021 C30H48O3 (3S,5R,10S,13S,14S,17S)-3-hydroxy-17-[(2R,5S)-5-hydroxy-6-methylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one 456.3603454 1.8639 4.43 6.463 3 2 57.53 5 4 33 1
NPC115608 C30H48O2 (3S,5R,10S,13S,14S,17S)-17-[(2S,5R)-5-hydroxy-6-methylhept-6-en-2-yl]-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-3-ol 440.3654308 2.8195 4.54 8.441 2 2 40.46 5 4 32 1
NPC116592 C29H38O7 498.2617536 -0.943 3.88 4.658 7 3 116.59 4 5 36 0
NPC117417 C27H34O5 438.2406242 0.8637 3.88 5.994 5 1 76.13 3 5 32 1
NPC122663 C32H44O7 540.3087037 0.1577 4.21 6.21 7 2 110.13 11 4 39 2
NPC129614 C18H14O5 5,11-dihydroxy-3,3-dimethylpyrano[3,2-a]xanthen-12-one 310.0841235 -0.4307 2.89 2.014 1 2 75.99 0 4 23 0
NPC137324 C50H44O10 804.2934476 3.0082 5.86 8.874 2 2 129.98 6 9 60 1
NPC142149 C30H48O4 (3S,5R,10S,13S,14S,17S)-17-[(2S,5R)-5-hydroperoxy-6-methylhept-6-en-2-yl]-3-hydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one 472.35526 2.2804 4.32 6.513 4 2 66.76 6 4 34 1
NPC142415 C30H48O3 Oleanolic_Acid 456.36 2.1298 4.43 9.052 3 2 57.53 10 5 33 1
NPC145882 C29H38O6 482.2668389 -0.2131 3.99 5.871 6 3 104.06 4 5 35 1
NPC167565 C28H38O6 470.2668389 -0.1657 3.88 4.723 6 2 93.06 4 5 34 0
NPC178383 C30H50O2 Betulin 442.38 2.1406 4.54 9.714 2 2 40.46 10 5 32 1
NPC188433 C23H22O6 Macluraxanthone 394.14 0.7307 3.33 3.28 1 3 96.22 9 4 29 0
NPC191570 C29H40O6 484.282489 0.0847 3.99 5.575 6 2 93.06 5 5 35 1
NPC201731 C25H24O5 Osajin 404.16 1.1979 3.66 4.382 1 2 75.99 9 4 30 0
NPC202093 C29H38O6 482.2668389 -0.2131 3.99 5.449 6 3 104.06 4 5 35 1
NPC202824 C24H34O5 Jolkinoate A 402.24 2.0236 3.55 4.788 5 0 69.67 11 3 29 0
NPC206800 C9H8O2 Cinnamic Acid 148.05 0.1213 2.23 3.904 2 1 37.3 3 1 11 0
NPC211485 C30H48O4 (3S,5R,10S,13S,14S,17S)-17-[(E,2S)-6-hydroperoxy-6-methylhept-4-en-2-yl]-3-hydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one 472.35526 2.3336 4.32 6.833 4 2 66.76 5 4 34 1
NPC211718 C30H48O4 (3S,5R,10S,13S,14S,17S)-17-[(2R,5S)-5-hydroperoxy-6-methylhept-6-en-2-yl]-3-hydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one 472.35526 2.2804 4.32 6.513 4 2 66.76 6 4 34 1
NPC221111 C20H28O3 Helioscopinolide A 316.2 1.6112 3.33 3.52 3 1 46.53 5 4 23 0
NPC22836 C30H46O5 (3S,5R,10S,13S,14S,17S)-17-[(E,2S)-6-hydroperoxy-6-methylhept-4-en-2-yl]-3-hydroxy-4,4,10,13,14-pentamethyl-2,3,5,6,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthrene-7,11-dione 486.3345246 1.9798 4.21 5.282 5 2 83.83 5 4 35 1
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC232888 C27H34O5 438.2406242 0.8683 3.88 5.401 5 2 83.83 10 4 32 1
NPC234452 C21H20O11 3,5-dihydroxy-2-(4-hydroxyphenyl)-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one 448.1005615 -4.0878 2.56 0.807 7 7 186.37 4 4 32 1
NPC235448 C23H24O6 396.1572885 1.24 3.33 3.561 1 4 107.22 12 3 29 0
NPC25555 C30H48O4 (3S,5R,10S,13S,14S,17S)-17-[(2S,5S)-5-hydroperoxy-6-methylhept-6-en-2-yl]-3-hydroxy-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one 472.35526 2.2804 4.32 6.513 4 2 66.76 6 4 34 1
NPC2596 C16H16O4 2-(4-Hydroxyphenyl)Ethyl 4-Methoxybenzoate 272.1 -0.336 2.78 3.58 2 1 55.76 8 2 20 0
NPC271900 C27H36O7 472.2461035 -1.3041 3.66 3.42 7 3 116.59 3 5 34 0
NPC280149 C20H28O3 316.2038448 1.6112 3.33 3.52 3 1 46.53 5 4 23 0
NPC282307 C25H24O6 Pomiferin 420.16 0.7376 3.55 3.848 1 3 96.22 10 4 31 0
NPC34125 C30H62O triacontan-1-ol 438.4800666 -8.4614 4.65 15.645 1 1 20.23 28 0 31 2
NPC34555 C20H26O3 (4aS,10aR,11aR,11bS)-4,4,8,11b-tetramethyl-1,2,4a,5,6,10a,11,11a-octahydronaphtho[2,1-f][1]benzofuran-3,9-dione 314.1881947 2.1809 3.33 2.913 3 0 43.37 0 4 23 0
NPC37968 C29H36O5 Jolkinol B 464.26 1.2248 4.1 7.232 5 1 76.13 10 5 34 1
NPC40394 C30H50O2 Uvaol 442.38 1.2749 4.54 9.261 2 2 40.46 10 5 32 1
NPC471162 C35H46O6 562.33 1.7997 4.65 8.56 6 1 82.06 16 5 41 1
NPC57026 C27H36O6 456.2511889 -0.5742 3.77 4.211 6 3 104.06 3 5 33 0
NPC6633 C18H14O5 310.0841235 -0.4307 2.89 2.014 1 2 75.99 4 4 23 0
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC83216 C30H48O3 (3S,5R,10S,13S,14S,17S)-3-hydroxy-17-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]-4,4,10,13,14-pentamethyl-1,2,3,5,6,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-7-one 456.3603454 1.9171 4.43 6.783 3 2 57.53 4 4 33 1
NPC87090 C22H32O4 Jolkinol D 360.23 1.6445 3.44 4.048 4 1 63.6 9 3 26 0
NPC94699 C19H38O4 2,3-dihydroxypropyl hexadecanoate 330.2770097 -4.6968 3.11 6.51 4 2 66.76 18 0 23 2
NPC9514 C27H36O6 456.2511889 -0.5742 3.77 4.633 6 3 104.06 3 5 33 0

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