2-Hydroxy-1,3,5,6,11,11b-hexahydroindolizino[8,7-b]indole-2-carboxylic acid
| Internal ID | 42a44328-320f-4d99-8c25-0473c0dee5fd |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 2-hydroxy-1,3,5,6,11,11b-hexahydroindolizino[8,7-b]indole-2-carboxylic acid |
| SMILES (Canonical) | C1CN2CC(CC2C3=C1C4=CC=CC=C4N3)(C(=O)O)O |
| SMILES (Isomeric) | C1CN2CC(CC2C3=C1C4=CC=CC=C4N3)(C(=O)O)O |
| InChI | InChI=1S/C15H16N2O3/c18-14(19)15(20)7-12-13-10(5-6-17(12)8-15)9-3-1-2-4-11(9)16-13/h1-4,12,16,20H,5-8H2,(H,18,19) |
| InChI Key | HLLVTIBIXISEMQ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C15H16N2O3 |
| Molecular Weight | 272.30 g/mol |
| Exact Mass | 272.11609238 g/mol |
| Topological Polar Surface Area (TPSA) | 76.60 Ų |
| XlogP | -1.40 |
| There are no found synonyms. |
![2D Structure of 2-Hydroxy-1,3,5,6,11,11b-hexahydroindolizino[8,7-b]indole-2-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/2-hydroxy-13561111b-hexahydroindolizino87-bindole-2-carboxylic-acid.jpg "2D Structure of 2-Hydroxy-1,3,5,6,11,11b-hexahydroindolizino[8,7-b]indole-2-carboxylic 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 | 96.50% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.34% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.17% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.65% | 94.45% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 91.73% | 99.23% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.15% | 88.56% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.24% | 98.75% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 85.43% | 85.14% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 84.88% | 95.62% |
| CHEMBL5028 | O14672 | ADAM10 | 84.50% | 97.50% |
| CHEMBL1821 | P08173 | Muscarinic acetylcholine receptor M4 | 84.37% | 94.08% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 84.28% | 92.98% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 83.76% | 89.00% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.68% | 94.62% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 81.48% | 97.50% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.28% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.34% | 93.99% |
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.
| There are no matching plants. |
| PubChem | 101494952 |
| LOTUS | LTS0134660 |
| wikiData | Q105030198 |