28 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: NPC9891
Formula: C24H32O7

Ingredient ID: NPC72046
Formula: C23H28O7

Ingredient ID: NPC61473
Formula: C29H50O3

Ingredient ID: NPC59196
Formula: C29H46O2

Ingredient ID: NPC52968
Formula: C22H22O4

Ingredient ID: NPC39884
Formula: C23H26O9

Ingredient ID: NPC39633
Formula: C19H34O2

Ingredient ID: NPC278988
Formula: C29H48O2

Ingredient ID: NPC275150
Formula: C26H31NO3

Ingredient ID: NPC238665
Formula: C24H32O7

Ingredient ID: NPC231719
Formula: C24H26O4

Ingredient ID: NPC230301
Formula: C29H50O

Ingredient ID: NPC219913
Formula: C7H6O2

Ingredient ID: NPC213482
Formula: C24H30O9

Ingredient ID: NPC205917
Formula: C28H40O

Ingredient ID: NPC203719
Formula: C8H8O3

Ingredient ID: NPC202463
Formula: C15H26

Ingredient ID: NPC180104
Formula: C23H26O9

Ingredient ID: NPC177868
Formula: C22H26O7

Ingredient ID: NPC150636
Formula: C29H50O4

Ingredient ID: NPC149203
Formula: C29H48O

Ingredient ID: NPC1474
Formula: C24H30O8

Ingredient ID: NPC145879
Formula: C29H48O2

Ingredient ID: NPC144054
Formula: C29H48O2

Ingredient ID: NPC123965
Formula: C30H50

Ingredient ID: NPC121651
Formula: C23H26O8

Ingredient ID: NPC113550
Formula: C22H22O8

Ingredient ID: NPC108602
Formula: C23H26O7

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC108602 C23H26O7 414.1678532 -0.1136 3.22 2.825 1 0 64.61 6 4 30 0
NPC113550 C22H22O8 414.1314677 -0.7596 3 2.464 2 0 77.14 8 6 30 0
NPC121651 C23H26O8 430.1627678 -0.5605 3.11 2.537 2 0 77.14 12 5 31 0
NPC123965 C30H50 410.3912516 8.5524 4.76 11.482 0 0 0 23 0 30 2
NPC144054 C29H48O2 (6R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 428.3654308 1.3831 4.43 9.98 2 1 37.3 6 4 31 1
NPC145879 C29H48O2 7-Oxositosterol 428.37 1.0285 4.43 9.499 2 1 37.3 13 4 31 1
NPC1474 C24H30O8 446.1940679 -0.3614 3.22 2.61 2 0 77.14 16 4 32 0
NPC149203 C29H48O (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 412.3705162 1.9562 4.54 11.588 1 0 17.07 6 4 30 1
NPC150636 C29H50O4 (2R,5R,9S)-9-acetyl-9-hydroxy-2,7,8-trimethyl-2-[(4R,8R)-4,8,12-trimethyltridecyl]-1-oxaspiro[4.4]non-7-en-6-one 462.3709101 1.8338 4.21 7.971 4 1 63.6 13 2 33 2
NPC177868 C22H26O7 402.1678532 -0.9065 3.11 2.488 1 1 75.61 11 4 29 0
NPC180104 C23H26O9 [(1S,2R)-2-methyl-3-oxo-1-(3,4,5-trimethoxyphenyl)butyl] 7-methoxy-1,3-benzodioxole-5-carboxylate 446.1576824 -0.6105 3 2.027 3 0 98.75 10 3 32 0
NPC202463 C15H26 (6E)-2,6,11-trimethyldodeca-2,6,10-triene 206.2034508 4.8558 3.11 6.016 0 0 0 6 0 15 1
NPC203719 C8H8O3 Vanillin 152.05 -0.7045 2.01 1.04 1 1 46.53 4 1 11 0
NPC205917 C28H40O (9R,10R,13R,17R)-17-[(E,2R,5R)-5,6-dimethylhept-3-en-2-yl]-10,13-dimethyl-1,2,9,11,12,15,16,17-octahydrocyclopenta[a]phenanthren-3-one 392.3079159 2.866 4.43 8.963 1 0 17.07 4 4 29 1
NPC213482 C24H30O9 462.1889825 -0.4114 3.11 2.1 3 0 98.75 20 2 33 1
NPC219913 C7H6O2 4-Hydroxybenzaldehyde 122.04 -0.6527 2.01 1.484 1 1 37.3 2 1 9 0
NPC230301 C29H50O Beta-Sitosterol 414.39 1.3 4.54 11.595 1 1 20.23 13 4 30 1
NPC231719 C24H26O4 Tsangibeilin A 378.18 -0.7147 3.66 6.391 2 1 55.76 6 6 28 1
NPC238665 C24H32O7 (2R,3R,4S,5S)-3,4-dimethyl-2,5-bis(3,4,5-trimethoxyphenyl)oxolane 432.2148034 -0.2989 3.33 3.08 1 0 64.61 8 3 31 0
NPC275150 C26H31NO3 Endiandramide A 405.23 0.095 3.88 6.539 2 1 51.05 8 6 30 1
NPC278988 C29H48O2 (6S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-6-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one 428.3654308 1.3831 4.43 9.98 2 1 37.3 6 4 31 1
NPC39633 C19H34O2 294.2558803 -0.6975 3.33 8.186 2 0 26.3 17 0 21 2
NPC39884 C23H26O9 [(1R,2R)-1-(7-methoxy-1,3-benzodioxol-5-yl)-2-methyl-3-oxobutyl] 3,4,5-trimethoxybenzoate 446.1576824 -0.6105 3 2.027 3 0 98.75 10 3 32 0
NPC52968 C22H22O4 Tsangibeilin B 350.15 -0.4235 3.44 5.253 2 1 55.76 4 6 26 1
NPC59196 C29H46O2 (8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,7,8,9,11,12,14,15,16,17-decahydro-1H-cyclopenta[a]phenanthrene-3,6-dione 426.3497807 1.4092 4.43 10.037 2 0 34.14 6 4 31 1
NPC61473 C29H50O3 Alpha-Tocoquinone 446.38 3.0732 4.32 8.993 3 1 54.37 24 1 32 2
NPC72046 C23H28O7 416.1835032 -0.498 3.22 3.007 1 0 64.61 12 4 30 0
NPC9891 C24H32O7 432.2148034 -0.2989 3.33 3.08 1 0 64.61 16 3 31 0

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