2-[(Z)-1-hydroxybut-2-en-2-yl]-3-(hydroxymethyl)-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one
| Internal ID | 4bc175ad-7a4d-4a1d-958d-c83bd8e10be5 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 2-[(Z)-1-hydroxybut-2-en-2-yl]-3-(hydroxymethyl)-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one |
| SMILES (Canonical) | CC=C(CO)C1=C(C(=O)N2CCC3=C(C2=C1)NC4=CC=CC=C34)CO |
| SMILES (Isomeric) | C/C=C(\CO)/C1=C(C(=O)N2CCC3=C(C2=C1)NC4=CC=CC=C34)CO |
| InChI | InChI=1S/C20H20N2O3/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/h2-6,9,21,23-24H,7-8,10-11H2,1H3/b12-2+ |
| InChI Key | FIELJMSNCWUFSW-SWGQDTFXSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H20N2O3 |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.14739250 g/mol |
| Topological Polar Surface Area (TPSA) | 76.60 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of 2-[(Z)-1-hydroxybut-2-en-2-yl]-3-(hydroxymethyl)-7,12-dihydro-6H-indolo[2,3-a]quinolizin-4-one](https://plantaedb.com/storage/docs/compounds/2023/11/2-z-1-hydroxybut-2-en-2-yl-3-hydroxymethyl-712-dihydro-6h-indolo23-aquinolizin-4-one.jpg "2D Structure of 2-[(Z)-1-hydroxybut-2-en-2-yl]-3-(hydroxymethyl)-7,12-dihydro-6H-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 |
|---|---|---|---|---|
| CHEMBL2581 | P07339 | Cathepsin D | 99.06% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 98.05% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.57% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.03% | 93.40% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 93.59% | 91.71% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.32% | 96.09% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 92.94% | 88.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.31% | 85.14% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.20% | 89.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 89.72% | 98.59% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.14% | 93.99% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.40% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.36% | 86.33% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 84.44% | 90.08% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 80.16% | 94.45% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 12047481 |
| LOTUS | LTS0077080 |
| wikiData | Q104995655 |