37 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: NPC93317
Formula: C16H28O2

Ingredient ID: NPC92642
Formula: C18H24O5

Ingredient ID: NPC90809
Formula: C15H16O3

Ingredient ID: NPC88805
Formula: C17H24O4

Ingredient ID: NPC76145
Formula: C10H16

Ingredient ID: NPC71258
Formula: C17H22O3

Ingredient ID: NPC70271
Formula: C15H18O2

Ingredient ID: NPC45947
Formula: C15H18O3

Ingredient ID: NPC45655
Formula: C15H16O2

Ingredient ID: NPC31238
Formula: C15H20O3

Ingredient ID: NPC303304
Formula: C16H20O3

Ingredient ID: NPC29652
Formula: C15H18O2

Ingredient ID: NPC292967
Formula: C15H26O2

Ingredient ID: NPC289764
Formula: C30H60

Ingredient ID: NPC262766
Formula: C15H18O4

Ingredient ID: NPC257124
Formula: C10H12O2

Ingredient ID: NPC252067
Formula: C10H12O

Ingredient ID: NPC247983
Formula: C18H24O5

Ingredient ID: NPC247452
Formula: C15H20O

Ingredient ID: NPC245190
Formula: C15H16O2

Ingredient ID: NPC239133
Formula: C15H26O

Ingredient ID: NPC235694
Formula: C18H24O5

Ingredient ID: NPC235059
Formula: C9H8O

Ingredient ID: NPC22678
Formula: C15H20O

Ingredient ID: NPC225223
Formula: C17H24O5

Ingredient ID: NPC204357
Formula: C15H22O

Ingredient ID: NPC188824
Formula: C15H26O2

Ingredient ID: NPC185373
Formula: C16H22O3

Ingredient ID: NPC184692
Formula: C16H20O3

Ingredient ID: NPC183885
Formula: C15H18O

Ingredient ID: NPC17920
Formula: C15H18O

Ingredient ID: NPC167059
Formula: C16H22O2

Ingredient ID: NPC150837
Formula: C7H8O

Ingredient ID: NPC147113
Formula: C15H20O3

Ingredient ID: NPC133069
Formula: C16H22O3

Ingredient ID: NPC114718
Formula: C15H18O3

Ingredient ID: NPC106184
Formula: C30H50O2

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC106184 C30H50O2 (1R,3S,5S,8R,9S,10R,13S,17S)-4,4,8,10,13-pentamethyl-17-[(2S)-6-methylhept-5-en-2-yl]-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthrene-1,3-diol 442.3810808 3.2967 4.54 9.098 2 2 40.46 4 4 32 1
NPC114718 C15H18O3 (4aS,8aS,9aS)-9a-hydroxy-3,8a-dimethyl-5-methylidene-4,4a,6,9-tetrahydrobenzo[f][1]benzofuran-2-one 246.1255944 2.013 2.78 1.945 3 1 46.53 0 3 18 0
NPC133069 C16H22O3 (6R,8R,9E)-8-methoxy-3,6,10-trimethyl-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-4-one 262.1568946 1.7811 2.89 2.283 2 0 39.44 1 2 19 0
NPC147113 C15H20O3 (5S,6S,7aS)-6-ethenyl-7a-hydroxy-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-4H-1-benzofuran-2-one 248.1412445 2.5735 2.78 2.351 3 1 46.53 2 2 18 0
NPC150837 C7H8O Metacresol 108.06 0.1817 2.12 2.367 0 1 20.23 2 1 8 0
NPC167059 C16H22O2 (5E,8R,9E)-8-methoxy-3,6,10-trimethyl-4,7,8,11-tetrahydrocyclodeca[b]furan 246.1619799 2.9189 3 2.605 1 0 22.37 1 2 18 0
NPC17920 C15H18O (4aS,8aS)-3,8a-dimethyl-5-methylidene-4,4a,6,9-tetrahydrobenzo[f][1]benzofuran 214.1357652 2.5725 3 3.808 0 0 13.14 0 3 16 0
NPC183885 C15H18O (4aS,8aS)-3,5,8a-trimethyl-4a,9-dihydro-4H-benzo[f][1]benzofuran 214.1357652 2.6536 3 3.646 0 0 13.14 0 3 16 0
NPC184692 C16H20O3 260.1412445 1.591 2.89 2.003 2 0 39.44 1 2 19 0
NPC185373 C16H22O3 262.1568946 1.7811 2.89 2.283 2 0 39.44 1 2 19 0
NPC188824 C15H26O2 238.1932801 1.1496 2.89 3.114 2 2 40.46 4 1 17 0
NPC204357 C15H22O 218.1670653 1.9379 3 5.988 1 1 20.23 4 1 16 1
NPC225223 C17H24O5 308.1623739 0.9361 2.78 2.791 2 3 86.99 6 1 22 0
NPC22678 C15H20O 216.1514153 3.2767 3 3.694 0 0 13.14 3 2 16 0
NPC235059 C9H8O Cinnamaldehyde 132.06 0.1687 2.34 3.985 1 0 17.07 2 1 10 0
NPC235694 C18H24O5 320.1623739 1.508 2.89 2.048 4 0 65.74 3 2 23 0
NPC239133 C15H26O 222.1983655 0.7088 3 4.891 1 1 20.23 2 2 16 0
NPC245190 C15H16O2 228.1150298 2.3251 2.89 3.072 1 0 30.21 0 3 17 0
NPC247452 C15H20O (5S,6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-4H-1-benzofuran 216.1514153 3.133 3 4.214 0 0 13.14 2 2 16 0
NPC247983 C18H24O5 320.1623739 1.508 2.89 2.048 4 0 65.74 3 2 23 0
NPC252067 C10H12O Cuminaldehyde 148.09 0.3805 2.45 4.48 1 0 17.07 4 1 11 0
NPC257124 C10H12O2 Eugenol 164.08 0.5166 2.34 2.484 0 1 29.46 5 1 12 0
NPC262766 C15H18O4 (3aS,5S,8S)-3a-hydroxy-1,5,8-trimethyl-5,7,8,9-tetrahydro-4H-benzo[e][1]benzofuran-2,6-dione 262.1205091 0.8784 2.67 0.852 4 1 63.6 0 3 19 0
NPC289764 C30H60 triacont-1-ene 420.4695019 -6.4736 4.76 17.044 0 0 0 27 0 30 2
NPC292967 C15H26O2 (1S,5R,6R)-5-[(2R)-2-hydroxybutan-2-yl]-2-methyl-6-(2-methylprop-1-enyl)cyclohex-2-en-1-ol 238.1932801 0.8675 2.89 2.201 2 2 40.46 3 1 17 0
NPC29652 C15H18O2 (5E,9E)-3,6,10-trimethyl-8,11-dihydro-7H-cyclodeca[b]furan-4-one 230.1306798 2.585 2.89 2.601 1 0 30.21 0 2 17 0
NPC303304 C16H20O3 (6S,7R,8E)-7-methoxy-3,6-dimethyl-10-methylidene-5,6,7,11-tetrahydrocyclodeca[b]furan-4-one 260.1412445 1.591 2.89 2.003 2 0 39.44 1 2 19 0
NPC31238 C15H20O3 248.1412445 1.228 2.78 1.481 3 1 46.53 0 3 18 0
NPC45655 C15H16O2 (8S)-1,5,8-trimethyl-8,9-dihydro-7H-benzo[e][1]benzofuran-6-one 228.1150298 1.3555 2.89 3.116 1 0 30.21 0 3 17 0
NPC45947 C15H18O3 246.13 1.2261 2.78 1.586 2 0 42.74 2 3 18 0
NPC70271 C15H18O2 (5S,6S)-6-ethenyl-3,6-dimethyl-5-prop-1-en-2-yl-5,7-dihydro-1-benzofuran-4-one 230.1306798 2.5342 2.89 2.829 1 0 30.21 2 2 17 0
NPC71258 C17H22O3 274.1568946 2.8895 3 2.826 2 0 39.44 2 2 20 0
NPC76145 C10H16 Limonene 136.13 2.1424 2.56 3.729 0 0 0 3 1 10 0
NPC88805 C17H24O4 292.1674592 1.3964 2.89 3.325 2 2 66.76 6 1 21 0
NPC90809 C15H16O3 (9aS)-9a-hydroxy-3,5,8-trimethyl-4,9-dihydrobenzo[f][1]benzofuran-2-one 244.1099444 1.9898 2.78 3.201 3 1 46.53 0 3 18 0
NPC92642 C18H24O5 [(5R,6S,8S,9Z)-8-methoxy-3,6,10-trimethyl-4-oxo-6,7,8,11-tetrahydro-5H-cyclodeca[b]furan-5-yl] acetate 320.1623739 1.508 2.89 2.048 4 0 65.74 3 2 23 0
NPC93317 C16H28O2 (1R,3aR,4R,8aS)-1-methoxy-1,4-dimethyl-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-4-ol 252.2089301 1.131 3 3.132 2 1 29.46 2 2 18 0

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