Flustramine L
| Internal ID | 573fd443-19bc-416d-9af4-c1de77cf1747 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyrroloindoles |
| IUPAC Name | (3aS,8bS)-5-bromo-3-methyl-7,8b-bis(3-methylbut-2-enyl)-1,2,3a,4-tetrahydropyrrolo[2,3-b]indol-8-ol |
| SMILES (Canonical) | CC(=CCC1=CC(=C2C(=C1O)C3(CCN(C3N2)C)CC=C(C)C)Br)C |
| SMILES (Isomeric) | CC(=CCC1=CC(=C2C(=C1O)[C@@]3(CCN([C@@H]3N2)C)CC=C(C)C)Br)C |
| InChI | InChI=1S/C21H29BrN2O/c1-13(2)6-7-15-12-16(22)18-17(19(15)25)21(9-8-14(3)4)10-11-24(5)20(21)23-18/h6,8,12,20,23,25H,7,9-11H2,1-5H3/t20-,21-/m0/s1 |
| InChI Key | HFPWSDSFBVKNTG-SFTDATJTSA-N |
| Popularity | 1 reference 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 | 6.30 |
| CHEMBL1078479 |
| 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 | 98.30% | 89.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.78% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.14% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.21% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.86% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.47% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.23% | 95.89% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.00% | 94.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.83% | 93.99% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 89.45% | 97.25% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.12% | 92.94% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.03% | 100.00% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.25% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.09% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.97% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 84.94% | 91.03% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.65% | 82.38% |
| CHEMBL4072 | P07858 | Cathepsin B | 84.35% | 93.67% |
| CHEMBL3430907 | Q96GD4 | Aurora kinase B/Inner centromere protein | 84.10% | 97.50% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.04% | 85.14% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 83.57% | 93.04% |
| CHEMBL344 | Q99705 | Melanin-concentrating hormone receptor 1 | 83.10% | 92.50% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.87% | 96.39% |
| CHEMBL4187 | Q99250 | Sodium channel protein type II alpha subunit | 80.84% | 95.50% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.72% | 94.00% |
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.
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| There are no matching plants. |
| PubChem | 44557717 |
| LOTUS | LTS0070567 |
| wikiData | Q105027449 |