(5R)-13-bromo-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),8,11(16),12,14-pentaen-9-ol
| Internal ID | 342a4ae2-a04c-4b10-abbe-388e634c8122 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | (5R)-13-bromo-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),8,11(16),12,14-pentaen-9-ol |
| SMILES (Canonical) | CN1CCC2=C3C1CCC=C(N3C4=C2C=CC(=C4)Br)O |
| SMILES (Isomeric) | CN1CCC2=C3[C@H]1CCC=C(N3C4=C2C=CC(=C4)Br)O |
| InChI | InChI=1S/C16H17BrN2O/c1-18-8-7-12-11-6-5-10(17)9-14(11)19-15(20)4-2-3-13(18)16(12)19/h4-6,9,13,20H,2-3,7-8H2,1H3/t13-/m1/s1 |
| InChI Key | LNGATHCZMURKQB-CYBMUJFWSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C16H17BrN2O |
| Molecular Weight | 333.22 g/mol |
| Exact Mass | 332.05243 g/mol |
| Topological Polar Surface Area (TPSA) | 28.40 Ų |
| XlogP | 3.40 |
| There are no found synonyms. |
![2D Structure of (5R)-13-bromo-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),8,11(16),12,14-pentaen-9-ol](https://plantaedb.com/storage/docs/compounds/2023/11/12d5b700-86c8-11ee-a6bb-cfb9e5572b88.jpg "2D Structure of (5R)-13-bromo-4-methyl-4,10-diazatetracyclo[8.6.1.05,17.011,16]heptadeca-1(17),8,11(16),12,14-pentaen-9-ol")
| 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 |
|---|---|---|---|---|
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.87% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.22% | 96.09% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.35% | 91.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.87% | 95.56% |
| CHEMBL240 | Q12809 | HERG | 93.13% | 89.76% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 92.91% | 89.62% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.36% | 91.11% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.70% | 93.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 90.31% | 97.25% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.05% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.86% | 98.95% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.50% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.44% | 89.00% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 84.27% | 90.71% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.48% | 96.43% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.06% | 91.79% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.87% | 91.00% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 80.87% | 98.46% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.71% | 98.75% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 80.25% | 88.48% |
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 | 101341052 |
| LOTUS | LTS0082196 |
| wikiData | Q105154325 |