alpha-5-C-(3-Hydroxybutyl)-7-epi-australine
| Internal ID | 3971db2c-f1b2-4b22-9034-e371d6cc07f1 |
| Taxonomy | Organoheterocyclic compounds > Pyrrolizidines |
| IUPAC Name | (1R,2R,3R,5R,7R,8R)-5-(3-hydroxybutyl)-3-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol |
| SMILES (Canonical) | CC(CCC1CC(C2N1C(C(C2O)O)CO)O)O |
| SMILES (Isomeric) | CC(CC[C@@H]1C[C@H]([C@H]2N1[C@@H]([C@H]([C@@H]2O)O)CO)O)O |
| InChI | InChI=1S/C12H23NO5/c1-6(15)2-3-7-4-9(16)10-12(18)11(17)8(5-14)13(7)10/h6-12,14-18H,2-5H2,1H3/t6?,7-,8-,9-,10-,11-,12-/m1/s1 |
| InChI Key | AITZGXDKERIISX-OTEIUPQTSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C12H23NO5 |
| Molecular Weight | 261.31 g/mol |
| Exact Mass | 261.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 104.00 Ų |
| XlogP | -1.20 |
| alpha-5-C-(3-Hydroxybutyl)-7-epi-australine |
| BDBM50242068 |
| Target | Value | Probability (raw) | Probability (%) |
|---|---|---|---|
| No predicted properties yet! | |||
Proven Targets:
| CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
|---|---|---|---|---|---|
| No proven targets yet! | |||||
Predicted Targets (via Super-PRED):
| CHEMBL ID | UniProt ID | Name | Probability | Model accuracy |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.41% | 96.09% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.77% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.57% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.23% | 97.25% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 88.71% | 95.93% |
| CHEMBL4394 | Q9NYA1 | Sphingosine kinase 1 | 88.19% | 96.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.17% | 85.14% |
| CHEMBL2955 | O95136 | Sphingosine 1-phosphate receptor Edg-5 | 86.58% | 92.86% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 86.52% | 98.75% |
| CHEMBL2996 | Q05655 | Protein kinase C delta | 84.75% | 97.79% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 83.73% | 94.00% |
| CHEMBL3892 | Q99500 | Sphingosine 1-phosphate receptor Edg-3 | 83.69% | 97.29% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.82% | 95.89% |
| CHEMBL2094135 | Q96BI3 | Gamma-secretase | 81.45% | 98.05% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.40% | 95.89% |
| CHEMBL230 | P35354 | Cyclooxygenase-2 | 81.26% | 89.63% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 80.78% | 83.82% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
To see more specific details click the taxa you are interested in.
To see more specific details click the taxa you are interested in.
| Scilla peruviana |
| PubChem | 11254004 |
| LOTUS | LTS0115048 |
| wikiData | Q104912966 |