Dihydroxytriangularine
| Internal ID | 5e4fd437-f076-4d68-a5d2-bdf60bdbae92 |
| Taxonomy | Alkaloids and derivatives |
| IUPAC Name | [(7R)-7-[(Z)-2-methylbut-2-enoyl]oxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2,3-dihydroxy-2-(hydroxymethyl)butanoate |
| SMILES (Canonical) | CC=C(C)C(=O)OC1CCN2C1C(=CC2)COC(=O)C(CO)(C(C)O)O |
| SMILES (Isomeric) | C/C=C(/C)\C(=O)O[C@@H]1CCN2C1C(=CC2)COC(=O)C(CO)(C(C)O)O |
| InChI | InChI=1S/C18H27NO7/c1-4-11(2)16(22)26-14-6-8-19-7-5-13(15(14)19)9-25-17(23)18(24,10-20)12(3)21/h4-5,12,14-15,20-21,24H,6-10H2,1-3H3/b11-4-/t12?,14-,15?,18?/m1/s1 |
| InChI Key | IMZYUCHNYPUYBN-FCIKVUCCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H27NO7 |
| Molecular Weight | 369.40 g/mol |
| Exact Mass | 369.17875220 g/mol |
| Topological Polar Surface Area (TPSA) | 117.00 Ų |
| XlogP | -0.70 |
| IMZYUCHNYPUYBN-FCIKVUCCSA-N |
| 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 | 98.88% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.46% | 98.95% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 91.46% | 97.25% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.59% | 94.45% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.08% | 99.17% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 85.54% | 95.89% |
| CHEMBL211 | P08172 | Muscarinic acetylcholine receptor M2 | 84.92% | 94.97% |
| CHEMBL2274 | Q9H228 | Sphingosine 1-phosphate receptor Edg-8 | 84.38% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.20% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 83.16% | 95.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.02% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 82.80% | 91.11% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.65% | 89.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.47% | 89.62% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 80.71% | 91.19% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 80.20% | 97.21% |
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.
| Alkanna orientalis |
| Alkanna tinctoria |
| PubChem | 91747359 |
| LOTUS | LTS0147235 |
| wikiData | Q105116036 |