2-(1-hydroxybut-2-en-2-yl)-3-(hydroxymethyl)-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one
| Internal ID | 25c85a87-dc6d-431f-8e07-f7a4aa41ff24 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 2-(1-hydroxybut-2-en-2-yl)-3-(hydroxymethyl)-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H24N2O3/c1-2-12(10-23)15-9-18-19-14(13-5-3-4-6-17(13)21-19)7-8-22(18)20(25)16(15)11-24/h2-6,15-16,18,21,23-24H,7-11H2,1H3 |
| InChI Key | AXTRBQOMEOBKOZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H24N2O3 |
| Molecular Weight | 340.40 g/mol |
| Exact Mass | 340.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 76.60 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of 2-(1-hydroxybut-2-en-2-yl)-3-(hydroxymethyl)-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/007a14f0-8625-11ee-8aa7-2d54c8e2c325.jpg "2D Structure of 2-(1-hydroxybut-2-en-2-yl)-3-(hydroxymethyl)-2,3,6,7,12,12b-hexahydro-1H-indolo[2,3-a]quinolizin-4-one")
| 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 | 97.96% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.11% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.02% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.76% | 98.95% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 91.98% | 85.14% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 90.94% | 88.56% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.43% | 97.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 89.18% | 91.49% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.02% | 89.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.12% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 86.68% | 94.45% |
| CHEMBL240 | Q12809 | HERG | 86.62% | 89.76% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.89% | 99.23% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 84.02% | 91.71% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.58% | 90.08% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 81.62% | 83.82% |
| CHEMBL228 | P31645 | Serotonin transporter | 81.16% | 95.51% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.82% | 100.00% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 80.67% | 85.00% |
| CHEMBL5028 | O14672 | ADAM10 | 80.64% | 97.50% |
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 | 73075430 |
| LOTUS | LTS0076591 |
| wikiData | Q104975461 |