(3aS,8bS)-5,7-dibromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol
| Internal ID | be060de5-c245-420d-aef2-083abfd66175 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | (3aS,8bS)-5,7-dibromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol |
| SMILES (Canonical) | CC(=CCC12CCN(C1NC3=C2C(=C(C=C3Br)Br)O)C)C |
| SMILES (Isomeric) | CC(=CC[C@@]12CCN([C@@H]1NC3=C2C(=C(C=C3Br)Br)O)C)C |
| InChI | InChI=1S/C16H20Br2N2O/c1-9(2)4-5-16-6-7-20(3)15(16)19-13-10(17)8-11(18)14(21)12(13)16/h4,8,15,19,21H,5-7H2,1-3H3/t15-,16-/m0/s1 |
| InChI Key | YZJXVTXZQKEAOV-HOTGVXAUSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H20Br2N2O |
| Molecular Weight | 416.20 g/mol |
| Exact Mass | 415.99219 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 5.10 |
| There are no found synonyms. |
![2D Structure of (3aS,8bS)-5,7-dibromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol](https://plantaedb.com/storage/docs/compounds/2023/11/3as8bs-57-dibromo-3-methyl-8b-3-methylbut-2-enyl-123a4-tetrahydropyrrolo23-bindol-8-ol.jpg "2D Structure of (3aS,8bS)-5,7-dibromo-3-methyl-8b-(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.52% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.45% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.35% | 91.11% |
| CHEMBL240 | Q12809 | HERG | 95.94% | 89.76% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.54% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.29% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.65% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.63% | 91.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 88.04% | 85.14% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 87.79% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.47% | 92.94% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.67% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.23% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.21% | 100.00% |
| CHEMBL233 | P35372 | Mu opioid receptor | 84.74% | 97.93% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.34% | 95.56% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.50% | 93.04% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 83.50% | 97.50% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 82.97% | 82.38% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.96% | 90.24% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.42% | 89.62% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.85% | 95.62% |
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 | 44557716 |
| LOTUS | LTS0072557 |
| wikiData | Q105369287 |