Bhonyumkbvimlo-uhfffaoysa-
| Internal ID | 99d5d877-b00a-45e3-9313-0d0fe8717d87 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 6-bromo-3-methyl-4-(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indol-8b-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H21BrN2O/c1-11(2)6-8-19-14-10-12(17)4-5-13(14)16(20)7-9-18(3)15(16)19/h4-6,10,15,20H,7-9H2,1-3H3 |
| InChI Key | BHONYUMKBVIMLO-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H21BrN2O |
| Molecular Weight | 337.25 g/mol |
| Exact Mass | 336.08373 g/mol |
| Topological Polar Surface Area (TPSA) | 26.70 Ų |
| XlogP | 3.30 |
| InChI=1/C16H21BrN2O/c1-11(2)6-8-19-14-10-12(17)4-5-13(14)16(20)7-9-18(3)15(16)19/h4-6,10,15,20H,7-9H2,1-3H3 |
| 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 | 97.68% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 95.61% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.10% | 94.45% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.74% | 90.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.14% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.83% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 91.36% | 91.11% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.91% | 89.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.53% | 95.89% |
| CHEMBL238 | Q01959 | Dopamine transporter | 87.74% | 95.88% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.50% | 95.56% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 84.68% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 84.67% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.59% | 100.00% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 81.59% | 97.25% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.10% | 90.24% |
| CHEMBL335 | P18031 | Protein-tyrosine phosphatase 1B | 80.78% | 95.17% |
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 | 14394917 |
| LOTUS | LTS0086217 |
| wikiData | Q104936133 |