5-Bromo-8b-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol
| Internal ID | f3d422bf-09c0-498e-a70e-d2c7a691e555 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | 5-bromo-8b-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol |
| SMILES (Canonical) | CC(=CCCC(=CCC12CCN(C1NC3=C(C=CC(=C23)O)Br)C)C)C |
| SMILES (Isomeric) | CC(=CCCC(=CCC12CCN(C1NC3=C(C=CC(=C23)O)Br)C)C)C |
| InChI | InChI=1S/C21H29BrN2O/c1-14(2)6-5-7-15(3)10-11-21-12-13-24(4)20(21)23-19-16(22)8-9-17(25)18(19)21/h6,8-10,20,23,25H,5,7,11-13H2,1-4H3 |
| InChI Key | YFSNZRUSLZKXIV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H29BrN2O |
| Molecular Weight | 405.40 g/mol |
| Exact Mass | 404.14633 g/mol |
| Topological Polar Surface Area (TPSA) | 35.50 Ų |
| XlogP | 6.20 |
| There are no found synonyms. |
![2D Structure of 5-Bromo-8b-(3,7-dimethylocta-2,6-dienyl)-3-methyl-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol](https://plantaedb.com/storage/docs/compounds/2023/11/5-bromo-8b-37-dimethylocta-26-dienyl-3-methyl-123a4-tetrahydropyrrolo23-bindol-8-ol.jpg "2D Structure of 5-Bromo-8b-(3,7-dimethylocta-2,6-dienyl)-3-methyl-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 | 98.78% | 96.09% |
| CHEMBL240 | Q12809 | HERG | 97.70% | 89.76% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.29% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.26% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.10% | 91.11% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 95.02% | 97.25% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.54% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.96% | 93.99% |
| CHEMBL233 | P35372 | Mu opioid receptor | 89.89% | 97.93% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.10% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.26% | 95.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 87.01% | 90.08% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 86.98% | 93.40% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 85.77% | 97.50% |
| CHEMBL2096618 | P11274 | Bcr/Abl fusion protein | 85.52% | 85.83% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.16% | 89.62% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.42% | 100.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 83.07% | 91.03% |
| CHEMBL1907602 | P06493 | Cyclin-dependent kinase 1/cyclin B1 | 83.01% | 91.24% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.51% | 97.09% |
| CHEMBL4227 | P25090 | Lipoxin A4 receptor | 82.18% | 100.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 81.92% | 82.69% |
| CHEMBL4769 | O95749 | Geranylgeranyl pyrophosphate synthetase | 81.78% | 92.08% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.31% | 88.56% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 75069081 |
| LOTUS | LTS0149896 |
| wikiData | Q105347787 |