10 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: NPC74103
Formula: C19H24O5

Ingredient ID: NPC70422
Formula: C20H28O5

Ingredient ID: NPC37288
Formula: C30H26O13

Ingredient ID: NPC20791
Formula: C15H10O7

Ingredient ID: NPC202306
Formula: C23H24O12

Ingredient ID: NPC161557
Formula: C20H22O6

Ingredient ID: NPC155620
Formula: C23H24O12

Ingredient ID: NPC150978
Formula: C17H20O5

Ingredient ID: NPC104961
Formula: C17H22O5

Properties

Ingredient ID Formulae Name MW AlogP MlogP XlogP # HBA # HBD PSA # Rotatable Bond # Ring # Heacy Atom Lipinski RO5 Violation
NPC104961 C17H22O5 6-O-Acetyldihydrohelenalin 306.15 0.3432 2.78 1.473 5 0 69.67 6 3 22 0
NPC150978 C17H20O5 Angustibalin 304.13 0.5603 2.78 1.291 5 0 69.67 5 3 22 0
NPC155620 C23H24O12 492.1267762 -4.0751 2.67 0.255 7 6 184.6 6 4 35 1
NPC161557 C20H22O6 Pinoresinol 358.14 -2.0222 3 1.684 2 2 77.38 8 4 26 0
NPC202306 C23H24O12 492.1267762 -4.0751 2.67 0.255 7 6 184.6 6 4 35 1
NPC20791 C15H10O7 Quercetin 302.04 -2.8012 2.34 1.381 2 5 127.45 6 3 22 0
NPC37288 C30H26O13 (2R,3S)-2-(3,4-dihydroxyphenyl)-8-[(2R,3R,4R)-3,5,7-trihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-4-yl]-3,4-dihydro-2H-chromene-3,5,7-triol 594.1373409 -5.6416 3.33 -0.369 2 11 240.99 3 6 43 1
NPC70422 C20H28O5 6-O-Isovaleryldihydrohelenalin 348.19 0.941 3.11 2.803 5 0 69.67 9 3 25 0
NPC74103 C19H24O5 Helenalinisobutyrate 332.16 1.2847 3 1.837 5 0 69.67 7 3 24 0

Download Data

All data can be downloaded by:

   → Selecting data type in the below download table
   → Then click the download button.
Data Section
Select to Download
1. General Information & structure data (InChi, InChiKey, SMILES)  
2. Physico-chemical Properties