2-[(2R,3R,11bS)-3-ethyl-8-hydroxy-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]acetic acid
| Internal ID | cccdbc25-77e9-426b-86f7-20cf76559920 |
| Taxonomy | Organoheterocyclic compounds > Quinolizidines |
| IUPAC Name | 2-[(2R,3R,11bS)-3-ethyl-8-hydroxy-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]acetic acid |
| SMILES (Canonical) | CCC1CN2CCC3=C(C(=C(C=C3C2CC1CC(=O)O)OC)OC)O |
| SMILES (Isomeric) | CC[C@H]1CN2CCC3=C(C(=C(C=C3[C@@H]2C[C@@H]1CC(=O)O)OC)OC)O |
| InChI | InChI=1S/C19H27NO5/c1-4-11-10-20-6-5-13-14(15(20)7-12(11)8-17(21)22)9-16(24-2)19(25-3)18(13)23/h9,11-12,15,23H,4-8,10H2,1-3H3,(H,21,22)/t11-,12+,15-/m0/s1 |
| InChI Key | SENILUVLSJDXDO-ZOWXZIJZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H27NO5 |
| Molecular Weight | 349.40 g/mol |
| Exact Mass | 349.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 79.20 Ų |
| XlogP | 0.20 |
| There are no found synonyms. |
![2D Structure of 2-[(2R,3R,11bS)-3-ethyl-8-hydroxy-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]acetic acid](https://plantaedb.com/storage/docs/compounds/2023/11/cd90e1f0-8838-11ee-ba19-a71727578518.jpg "2D Structure of 2-[(2R,3R,11bS)-3-ethyl-8-hydroxy-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]acetic acid")
| 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 | 99.35% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.65% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.57% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.00% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.39% | 98.95% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 91.20% | 99.17% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 90.32% | 82.38% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.51% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.36% | 94.45% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.08% | 90.24% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.07% | 98.75% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.78% | 95.89% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 80.65% | 93.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 80.30% | 95.62% |
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.
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| There are no matching plants. |
| PubChem | 13859062 |
| LOTUS | LTS0094956 |
| wikiData | Q105251361 |