6 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: NPC8087
Formula: C6H13NO4
Ingredient ID: NPC8087
| Common Name | 2,5-Dideoxy-2,5-Imino-D-Mannitol |
| IUPAC Name | (2R,3R,4R,5R)-2,5-bis(hydroxymethyl)pyrrolidine-3,4-diol |
| Canonical SMILES | OC[C@H]1N[C@@H]([C@H]([C@@H]1O)O)CO |
| Standard InCHI | InChI=1S/C6H13NO4/c8-1-3-5(10)6(11)4(2-9)7-3/h3-11H,1-2H2/t3-,4-,5-,6-/m1/s1 |
| Standard InCHIKey | PFYHYHZGDNWFIF-KVTDHHQDSA-N |
| Ingredient External Links |
PubChem CID: 124702 ZINC ID: ZINC000001492230 ChEMBL ID: CHEMBL312653 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC8087] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Castanospermum australe | Castanospermum | Fabaceae |
  |
| Morus bombycis | Morus | Moraceae |
|
| Hyacinthus orientalis | Hyacinthus | Hyacinthaceae |
|
| Xanthocercis zambesiaca | Xanthocercis | Fabaceae | |
| Angylocalyx pynaertii | Angylocalyx | Fabaceae | |
| Scorzoneroides autumnalis | Scorzoneroides | Asteraceae | |
| Glycyrrhiza glabra | Glycyrrhiza | Fabaceae |
 |
| aglaonema treubii | Aglaonema | Araceae | |
| Lactuca floridana | Lactuca | Asteraceae | |
| Glycyrrhiza uralensis | Glycyrrhiza | Fabaceae |
|
| Commelina communis | Commelina | Commelinaceae |
|
Ingredient ID: NPC313104
Formula: C5H9N3O2
Ingredient ID: NPC305355
Formula: C20H18O3
Ingredient ID: NPC2432
Formula: C6H13NO4
Ingredient ID: NPC22774
Formula: C6H13NO4
Ingredient ID: NPC156590
Formula: C20H18O4
Ingredient ID: NPC156590
| Common Name | 4-Hydroxyloncarpin |
| IUPAC Name | (E)-1-(5-hydroxy-2,2-dimethylchromen-6-yl)-3-(4-hydroxyphenyl)prop-2-en-1-one |
| Canonical SMILES | Oc1ccc(cc1)/C=C/C(=O)c1ccc2c(c1O)C=CC(O2)(C)C |
| Standard InCHI | InChI=1S/C20H18O4/c1-20(2)12-11-16-18(24-20)10-8-15(19(16)23)17(22)9-5-13-3-6-14(21)7-4-13/h3-12,21,23H,1-2H3/b9-5+ |
| Standard InCHIKey | IQHPDUUSMBMDGN-WEVVVXLNSA-N |
| Ingredient External Links |
PubChem CID: 5889042 ZINC ID: ZINC000014557836 ChEMBL ID: CHEMBL362378 |
| Plant-Ingredient Association Reference |
Database: UNPD [] Database: NPASS [NPC156590] |
Distribution of the ingredient across plants
| Plant Name | Plant Genus | Plant Family | Plant Usage |
|---|---|---|---|
| Cordia americana | Cordia | Cordiaceae | |
| Glycyrrhiza | Glycyrrhiza | Fabaceae |
|
| Ventilago leiocarpa | Ventilago | Rhamnaceae |
|
| Pedicularis semitorta | Pedicularis | Orobanchaceae | |
| Scorzoneroides autumnalis | Scorzoneroides | Asteraceae | |
| Cullen corylifolium | Cullen | Fabaceae |
|
| Scopolia japonica | Scopolia | Solanaceae |
|
| Lactuca floridana | Lactuca | Asteraceae | |
| Achillea cretica | Achillea | Asteraceae | |
| Glycosmis montana | Glycosmis | Rutaceae |
|
| Eupatorium riparium | Eupatorium | Asteraceae |
|
Properties
| Ingredient ID | Formulae | Name | MW | AlogP | MlogP | XlogP | # HBA | # HBD | PSA | # Rotatable Bond | # Ring | # Heacy Atom | Lipinski RO5 Violation |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| NPC156590 | C20H18O4 | 4-Hydroxyloncarpin | 322.12 | 0.0845 | 3.22 | 4.164 | 1 | 2 | 66.76 | 7 | 3 | 24 | 0 |
| NPC22774 | C6H13NO4 | Deoxymannojirimycin | 163.08 | -2.44 | 1.57 | -0.929 | 5 | 5 | 92.95 | 5 | 1 | 11 | 0 |
| NPC2432 | C6H13NO4 | L-Ido-1-Deoxynojirimycin | 163.08 | -2.44 | 1.57 | -0.929 | 5 | 5 | 92.95 | 5 | 1 | 11 | 0 |
| NPC305355 | C20H18O3 | Lonchocarpin | 306.13 | 0.5448 | 3.33 | 6.182 | 1 | 1 | 46.53 | 6 | 3 | 23 | 1 |
| NPC313104 | C5H9N3O2 | 143.0694765 | -0.7133 | 1.46 | 0.076 | 5 | 4 | 85.21 | 2 | 1 | 10 | 0 | |
| NPC8087 | C6H13NO4 | 2,5-Dideoxy-2,5-Imino-D-Mannitol | 163.08 | -2.44 | 1.57 | -0.929 | 5 | 5 | 92.95 | 6 | 1 | 11 | 0 |
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