Flustramine E
| Internal ID | e6459010-121b-4f1f-9b24-436f69818290 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | (3aS,8bS)-6-bromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C16H21BrN2/c1-11(2)6-7-16-8-9-19(3)15(16)18-14-10-12(17)4-5-13(14)16/h4-6,10,15,18H,7-9H2,1-3H3/t15-,16-/m0/s1 |
| InChI Key | NXURJBZDLHRCEU-HOTGVXAUSA-N |
| Popularity | 4 references in papers |
| Molecular Formula | C16H21BrN2 |
| Molecular Weight | 321.25 g/mol |
| Exact Mass | 320.08881 g/mol |
| Topological Polar Surface Area (TPSA) | 15.30 Ų |
| XlogP | 4.70 |
| 158642-05-8 |
| (3aS,8bS)-6-bromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indole |
| 3a,8a-cis-1-Methyl-3a-(3-methyl-2-butenyl)-6-bromo-1,2,3,3a,8,8a-hexahydropyrrolo(2,3-b)indole |
| (3aS,8bS)-6-bromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo(2,3-b)indole |
| RefChem:141058 |
| Pyrrolo(2,3-b)indole, 6-bromo-1,2,3,3a,8,8a-hexahydro-1-methyl-3a-(3-methyl-2-butenyl)-, (3aS-cis) |
| (3as,8as)-6-bromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole |
| CHEMBL460228 |
| DTXSID20935961 |
| 6-Bromo-1-methyl-3a-(3-methylbut-2-en-1-yl)-1,2,3,3a,8,8a-hexahydropyrrolo[2,3-b]indole |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 |
|---|---|---|---|---|
| CHEMBL240 | Q12809 | HERG | 99.79% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.31% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.86% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.22% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.08% | 93.40% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.29% | 97.25% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.26% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 90.14% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.93% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.23% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 87.46% | 94.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.96% | 95.56% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 86.25% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.22% | 100.00% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.38% | 93.67% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.29% | 89.62% |
| CHEMBL238 | Q01959 | Dopamine transporter | 83.28% | 95.88% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.54% | 91.03% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 80.68% | 90.24% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.62% | 100.00% |
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 | 190928 |
| LOTUS | LTS0093418 |
| wikiData | Q82912065 |