2-amino-3-(6-bromo-1H-indol-3-yl)-N-[2-(3,4,5-trihydroxyphenyl)ethenyl]propanamide
| Internal ID | 38383255-1e8f-44bb-8c7a-e2774e70591c |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Tryptamines and derivatives |
| IUPAC Name | 2-amino-3-(6-bromo-1H-indol-3-yl)-N-[2-(3,4,5-trihydroxyphenyl)ethenyl]propanamide |
| SMILES (Canonical) | C1=CC2=C(C=C1Br)NC=C2CC(C(=O)NC=CC3=CC(=C(C(=C3)O)O)O)N |
| SMILES (Isomeric) | C1=CC2=C(C=C1Br)NC=C2CC(C(=O)NC=CC3=CC(=C(C(=C3)O)O)O)N |
| InChI | InChI=1S/C19H18BrN3O4/c20-12-1-2-13-11(9-23-15(13)8-12)7-14(21)19(27)22-4-3-10-5-16(24)18(26)17(25)6-10/h1-6,8-9,14,23-26H,7,21H2,(H,22,27) |
| InChI Key | YTHSWGAFCFXWGB-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H18BrN3O4 |
| Molecular Weight | 432.30 g/mol |
| Exact Mass | 431.04807 g/mol |
| Topological Polar Surface Area (TPSA) | 132.00 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of 2-amino-3-(6-bromo-1H-indol-3-yl)-N-[2-(3,4,5-trihydroxyphenyl)ethenyl]propanamide](https://plantaedb.com/storage/docs/compounds/2023/11/2-amino-3-6-bromo-1h-indol-3-yl-n-2-345-trihydroxyphenylethenylpropanamide.jpg "2D Structure of 2-amino-3-(6-bromo-1H-indol-3-yl)-N-[2-(3,4,5-trihydroxyphenyl)ethenyl]propanamide")
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.69% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.13% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 95.95% | 89.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.83% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.61% | 91.49% |
| CHEMBL3830 | Q2M2I8 | Adaptor-associated kinase | 94.02% | 83.10% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 92.95% | 96.09% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 90.48% | 97.21% |
| CHEMBL3788 | O00444 | Serine/threonine-protein kinase PLK4 | 90.19% | 83.65% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.84% | 98.95% |
| CHEMBL4816 | Q9Y243 | Serine/threonine-protein kinase AKT3 | 87.36% | 96.28% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.91% | 89.00% |
| CHEMBL3194 | P02766 | Transthyretin | 86.86% | 90.71% |
| CHEMBL3038469 | P24941 | CDK2/Cyclin A | 86.51% | 91.38% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 86.08% | 96.00% |
| CHEMBL1907594 | P30926 | Neuronal acetylcholine receptor; alpha3/beta4 | 84.79% | 97.23% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 84.02% | 96.95% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 83.13% | 99.15% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.78% | 99.17% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 82.53% | 95.56% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 81.91% | 94.73% |
| CHEMBL1907591 | P30926 | Neuronal acetylcholine receptor; alpha4/beta4 | 81.73% | 100.00% |
| CHEMBL3976 | Q9UHL4 | Dipeptidyl peptidase II | 80.91% | 92.29% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 80.52% | 91.71% |
| CHEMBL2111367 | P27986 | PI3-kinase p110-alpha/p85-alpha | 80.21% | 94.33% |
Below are displayed all the plants proven (via scientific papers) to contain this
compound!
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| There are no matching plants. |
| PubChem | 74051229 |
| LOTUS | LTS0133431 |
| wikiData | Q105361445 |