(11S)-7-hydroxy-9-(5-hydroxy-1H-indol-3-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7,9-pentaene-11-carboxylic acid
| Internal ID | 764d4d94-6de5-4baa-807e-c1fa6451e050 |
| Taxonomy | Organoheterocyclic compounds > Benzazepines |
| IUPAC Name | (11S)-7-hydroxy-9-(5-hydroxy-1H-indol-3-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7,9-pentaene-11-carboxylic acid |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H15N3O4/c24-10-1-2-13-11(6-10)12(8-22-13)19-18-16(25)4-3-14-17(18)9(7-21-14)5-15(23-19)20(26)27/h1-4,6-8,15,21-22,24-25H,5H2,(H,26,27)/t15-/m0/s1 |
| InChI Key | IBHBIKWTFZCSOF-HNNXBMFYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H15N3O4 |
| Molecular Weight | 361.30 g/mol |
| Exact Mass | 361.10625597 g/mol |
| Topological Polar Surface Area (TPSA) | 122.00 Ų |
| XlogP | 2.60 |
| There are no found synonyms. |
![2D Structure of (11S)-7-hydroxy-9-(5-hydroxy-1H-indol-3-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7,9-pentaene-11-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/345b89f0-8599-11ee-a3e7-6be5e5e0ddc1.jpg "2D Structure of (11S)-7-hydroxy-9-(5-hydroxy-1H-indol-3-yl)-3,10-diazatricyclo[6.4.1.04,13]trideca-1,4(13),5,7,9-pentaene-11-carboxylic acid")
| 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 | 99.19% | 91.11% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 98.44% | 91.49% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.02% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.37% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 94.09% | 95.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.20% | 98.95% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 92.07% | 96.39% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 89.77% | 99.15% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 88.73% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.49% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.14% | 95.56% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 88.01% | 91.71% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 87.93% | 91.79% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 86.47% | 95.56% |
| CHEMBL2095172 | P14867 | GABA-A receptor; alpha-1/beta-2/gamma-2 | 83.76% | 92.67% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.98% | 99.17% |
| CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 82.82% | 90.71% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.72% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.31% | 95.89% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.22% | 94.62% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 82.08% | 99.23% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.83% | 89.62% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 80.85% | 97.00% |
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.
To see more specific details click the taxa you are interested in.
| There are no matching plants. |
| PubChem | 136742153 |
| LOTUS | LTS0044776 |
| wikiData | Q105036505 |