Flustramine B
| Internal ID | 12607983-f5d1-4ca6-9c9a-7969ada1ce80 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | (3aS,8bR)-6-bromo-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole |
| SMILES (Canonical) | CC(=CCC12CCN(C1N(C3=C2C=CC(=C3)Br)CC=C(C)C)C)C |
| SMILES (Isomeric) | CC(=CC[C@]12CCN([C@H]1N(C3=C2C=CC(=C3)Br)CC=C(C)C)C)C |
| InChI | InChI=1S/C21H29BrN2/c1-15(2)8-10-21-11-13-23(5)20(21)24(12-9-16(3)4)19-14-17(22)6-7-18(19)21/h6-9,14,20H,10-13H2,1-5H3/t20-,21+/m0/s1 |
| InChI Key | AXCACHVTDPCEAS-LEWJYISDSA-N |
| Popularity | 5 references in papers |
| Molecular Formula | C21H29BrN2 |
| Molecular Weight | 389.40 g/mol |
| Exact Mass | 388.15141 g/mol |
| Topological Polar Surface Area (TPSA) | 6.50 Ų |
| XlogP | 6.40 |
| 71239-65-1 |
| DTXSID80221413 |
| (3aS,8bR)-6-bromo-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo[2,3-b]indole |
| (3aS,8bR)-6-bromo-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo(2,3-b)indole |
| RefChem:141056 |
| DTXCID80143904 |
| (3aR,8bS)-6-bromo-3-methyl-4,8b-bis(3-methylbut-2-enyl)-2,3a-dihydro-1H-pyrrolo(2,3-b)indole |
| Pyrrolo(2,3-b)indole, 6-bromo-1,2,3,3a,8,8a-hexahydro-1-methyl-3a,8-bis(3-methyl-2-butenyl)-, cis- |
| 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 | 99.39% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.68% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.40% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.23% | 94.45% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.12% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.89% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.69% | 89.62% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.87% | 90.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 85.85% | 95.88% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.19% | 92.94% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 85.04% | 91.11% |
| CHEMBL221 | P23219 | Cyclooxygenase-1 | 83.98% | 90.17% |
| CHEMBL3807 | P17706 | T-cell protein-tyrosine phosphatase | 81.77% | 93.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 81.57% | 100.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 80.72% | 95.56% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 80.32% | 100.00% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.24% | 90.24% |
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 | 130549 |
| LOTUS | LTS0100931 |
| wikiData | Q83099160 |