32 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.



6 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC97727
Formula: C14H21NO

Ingredient ID: NPC84454
Formula: C15H24O2

Ingredient ID: NPC76336
Formula: C10H8O4

Ingredient ID: NPC71004
Formula: C15H26O2

Ingredient ID: NPC6984
Formula: C8H8O2

Ingredient ID: NPC69667
Formula: C15H24O2

Ingredient ID: NPC67599
Formula: C14H22O2

Ingredient ID: NPC45483
Formula: C24H32O3

Ingredient ID: NPC41500
Formula: C14H24O3

Ingredient ID: NPC32421
Formula: C14H22O2

Ingredient ID: NPC32163
Formula: C9H10O3

Ingredient ID: NPC31584
Formula: C15H26O2

Ingredient ID: NPC27526
Formula: C23H32O3

Ingredient ID: NPC262047
Formula: C21H26O13

Ingredient ID: NPC252655
Formula: C15H26O

Ingredient ID: NPC235224
Formula: C15H24O2

Ingredient ID: NPC230007
Formula: C11H15N

Ingredient ID: NPC228069
Formula: C15H26O

Ingredient ID: NPC213312
Formula: C15H24

Ingredient ID: NPC195172
Formula: C15H24O3

Ingredient ID: NPC195170
Formula: C15H26O

Ingredient ID: NPC176740
Formula: C27H30O16

Ingredient ID: NPC175492
Formula: C14H21NO

Ingredient ID: NPC159115
Formula: C16H24O3

Ingredient ID: NPC15692
Formula: C17H26O5

Ingredient ID: NPC149184
Formula: C20H40O2

Ingredient ID: NPC145538
Formula: C18H28O5

Ingredient ID: NPC142415
Formula: C30H48O3

Ingredient ID: NPC127074
Formula: C5H12O5

Ingredient ID: NPC118843
Formula: C15H26O

Ingredient ID: NPC117727
Formula: C18H28O5

Ingredient ID: NPC104354
Formula: C15H24O3

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC104354 C15H24O3 252.1725446 0.4823 2.78 3.232 3 2 57.53 2 2 18 0
NPC117727 C18H28O5 324.193674 0.4376 2.89 2.905 5 2 83.83 6 2 23 0
NPC118843 C15H26O 222.1983655 1.3641 3 4.054 1 1 20.23 1 2 16 0
NPC127074 C5H12O5 152.0684735 -2.4295 1.46 -3.224 5 5 101.15 9 0 10 0
NPC142415 C30H48O3 Oleanolic_Acid 456.36 2.1298 4.43 9.052 3 2 57.53 10 5 33 1
NPC145538 C18H28O5 324.193674 0.4376 2.89 3.327 5 2 83.83 6 2 23 0
NPC149184 C20H40O2 Elcosanoic Acid 312.3 -5.0497 3.44 9.846 2 1 37.3 20 0 22 2
NPC15692 C17H26O5 310.1780239 0.368 2.78 3.339 5 2 83.83 5 2 22 0
NPC159115 C16H24O3 264.1725446 1.6537 2.89 3.794 3 0 35.53 1 3 19 0
NPC175492 C14H21NO 2-[(5S,8R)-2,5-dimethyl-5,6,7,8-tetrahydroquinolin-8-yl]propan-2-ol 219.1623143 0.9118 2.78 3.643 2 1 33.12 1 2 16 0
NPC176740 C27H30O16 Rutin 610.15 -6.139 2.67 -1.188 11 10 265.52 17 5 43 2
NPC195170 C15H26O 2-[(1R,4R,4aS,8aR)-4,7-dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl]propan-2-ol 222.1983655 1.3641 3 4.687 1 1 20.23 1 2 16 0
NPC195172 C15H24O3 252.1725446 0.4823 2.78 2.81 3 2 57.53 2 2 18 0
NPC213312 C15H24 (1R,4R,4aS,8aS)-1,6-dimethyl-4-prop-1-en-2-yl-1,2,3,4,4a,5,8,8a-octahydronaphthalene 204.1878008 2.4498 3.11 6.051 0 0 0 1 2 15 1
NPC228069 C15H26O (1S,4R,4aS,8aR)-4,7-dimethyl-1-propan-2-yl-3,4,4a,5,6,8a-hexahydro-2H-naphthalen-1-ol 222.1983655 1.3641 3 4.054 1 1 20.23 1 2 16 0
NPC230007 C11H15N (5R)-2,5-dimethyl-5,6,7,8-tetrahydroquinoline 161.1204495 0.7961 2.56 3.601 1 0 12.89 0 2 12 0
NPC235224 C15H24O2 (4aR,5R,8R,8aS)-5-(2-hydroxypropan-2-yl)-3,8-dimethyl-4a,5,6,7,8,8a-hexahydro-1H-naphthalen-2-one 236.17763 0.8171 2.89 2.714 2 1 37.3 1 2 17 0
NPC252655 C15H26O 222.1983655 1.4006 3 4.732 1 1 20.23 0 3 16 0
NPC262047 C21H26O13 6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-2-one 486.1373409 -3.2252 2.34 -1.314 10 6 193.83 6 4 34 1
NPC27526 C23H32O3 356.2351449 0.6774 3.66 6.284 3 1 46.53 6 3 26 1
NPC31584 C15H26O2 238.1932801 0.3214 2.89 3.465 2 1 29.46 0 3 17 0
NPC32163 C9H10O3 Apocynin 166.06 -0.766 2.12 0.891 1 1 46.53 5 1 12 0
NPC32421 C14H22O2 222.1619799 0.9019 2.78 2.189 2 1 37.3 1 2 16 0
NPC41500 C14H24O3 (2S,3R,6S)-6-(2-hydroxypropan-2-yl)-3-methyl-2-(3-oxobutyl)cyclohexan-1-one 240.1725446 0.2617 2.67 1.928 3 1 54.37 4 1 17 0
NPC45483 C24H32O3 368.2351449 1.0037 3.77 7.108 3 1 46.53 6 3 27 1
NPC67599 C14H22O2 (2S,3R)-3-methyl-2-(3-oxobutyl)-6-propan-2-ylidenecyclohexan-1-one 222.1619799 1.44 2.78 2.159 2 0 34.14 3 1 16 0
NPC69667 C15H24O2 (4aS,5R,8R,8aR)-8-(2-hydroxypropan-2-yl)-5-methyl-3,4,4a,5,6,7,8,8a-octahydronaphthalene-2-carbaldehyde 236.17763 0.5297 2.89 3.313 2 1 37.3 2 2 17 0
NPC6984 C8H8O2 4-Hydroxyacetophenone 136.05 -0.7142 2.12 1.335 1 1 37.3 3 1 10 0
NPC71004 C15H26O2 238.1932801 0.3214 2.89 3.254 2 1 29.46 1 3 17 0
NPC76336 C10H8O4 Scopoletin 192.04 -0.2421 2.12 1.088 1 1 55.76 3 2 14 0
NPC84454 C15H24O2 236.17763 0.5297 2.89 2.891 2 1 37.3 2 2 17 0
NPC97727 C14H21NO 219.1623143 0.9118 2.78 3.643 2 1 33.12 1 2 16 0

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