19 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.



5 Ingredients with Available Activity


Unique ingredients have activity data available.


Ingredient Structrual Cards

Ingredient ID: NPC81596
Formula: C35H48O16

Ingredient ID: NPC80960
Formula: C14H20O4

Ingredient ID: NPC59915
Formula: C15H22O4

Ingredient ID: NPC54647
Formula: C19H22O4

Ingredient ID: NPC4940
Formula: C20H22O8

Ingredient ID: NPC49074
Formula: C17H24O9

Ingredient ID: NPC283337
Formula: C16H14O4

Ingredient ID: NPC264317
Formula: C30H48O3

Ingredient ID: NPC263275
Formula: C15H22O4

Ingredient ID: NPC254847
Formula: C15H10O5

Ingredient ID: NPC22098
Formula: C10H18O

Ingredient ID: NPC220970
Formula: C22H24O3

Ingredient ID: NPC216429
Formula: C16H22O8

Ingredient ID: NPC201346
Formula: C25H38O11

Ingredient ID: NPC160257
Formula: C27H34O11

Ingredient ID: NPC144054
Formula: C29H48O2

Ingredient ID: NPC12319
Formula: C10H16O

Ingredient ID: NPC113733
Formula: C29H48O

Ingredient ID: NPC11358
Formula: C15H26O

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC11358 C15H26O 2-[(2R,4aS,8aR)-4a,8-dimethyl-2,3,4,5,6,8a-hexahydro-1H-naphthalen-2-yl]propan-2-ol 222.1983655 1.5816 3 4.785 1 1 20.23 1 2 16 0
NPC113733 C29H48O Stigmasterol 412.37 1.2566 4.54 11.071 1 1 20.23 12 4 30 1
NPC12319 C10H16O 152.1201151 2.4893 2.45 2.701 1 0 17.07 7 0 11 0
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
NPC160257 C27H34O11 (2S,3R,4S,5S,6R)-2-[4-[(3S,3aR,6S,6aR)-3-(3,4-dimethoxyphenyl)-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-6-yl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol 534.2101119 -3.3606 3.22 1.095 7 4 145.53 8 5 38 0
NPC201346 C25H38O11 514.241412 -2.966 3 2.267 10 5 172.21 15 2 36 1
NPC216429 C16H22O8 (2R,3S,4S,5R,6S)-2-(hydroxymethyl)-6-[4-(3-hydroxyprop-1-enyl)-2-methoxyphenoxy]oxane-3,4,5-triol 342.1314677 -2.2399 2.34 0.027 6 5 128.84 6 2 24 0
NPC220970 C22H24O3 336.1725446 1.845 3.55 5.076 0 0 27.69 7 3 25 1
NPC22098 C10H18O 154.1357652 2.0432 2.45 3.591 1 0 17.07 8 0 11 0
NPC254847 C15H10O5 Emodin 270.05 -1.2665 2.56 0.664 2 3 94.83 4 3 20 0
NPC263275 C15H22O4 2,2,4,4-tetramethyl-6-(3-methylbutanoyl)cyclohexane-1,3,5-trione 266.1518092 1.2362 2.67 1.18 4 0 68.28 3 1 19 0
NPC264317 C30H48O3 Betulinic Acid 456.36 2.3495 4.43 9.407 3 2 57.53 10 5 33 1
NPC283337 C16H14O4 1,8-dihydroxy-3-methoxy-6-methyl-10H-anthracen-9-one 270.0892089 -0.138 2.78 2.312 1 2 66.76 1 3 20 0
NPC49074 C17H24O9 Syringin 372.14 -2.2917 2.34 -0.417 6 5 138.07 14 2 26 0
NPC4940 C20H22O8 390.1314677 -2.9004 2.78 0.293 4 4 117.84 10 4 28 0
NPC54647 C19H22O4 Grandiflorone 314.15 0.8433 3.11 4.921 4 1 71.44 9 2 23 0
NPC59915 C15H22O4 5-hydroxy-2,2,6,6-tetramethyl-4-(3-methylbutanoyl)cyclohex-4-ene-1,3-dione 266.1518092 1.3538 2.67 2.522 4 1 71.44 3 1 19 0
NPC80960 C14H20O4 2,2,4,4-tetramethyl-6-(2-methylpropanoyl)cyclohexane-1,3,5-trione 252.1361591 1.3628 2.56 0.396 4 0 68.28 2 1 18 0
NPC81596 C35H48O16 724.2942355 -5.1751 3.55 1.971 14 8 251.36 17 4 51 3

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