11,12-Dihydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one
| Internal ID | e6934507-cc24-4753-9c31-61858aa0d472 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 11,12-dihydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one |
| SMILES (Canonical) | C1=CC=C2C(=C1)C3=C(N2)C4=NC5=CC=CC=C5C(=O)N4C(C3O)O |
| SMILES (Isomeric) | C1=CC=C2C(=C1)C3=C(N2)C4=NC5=CC=CC=C5C(=O)N4C(C3O)O |
| InChI | InChI=1S/C18H13N3O3/c22-15-13-9-5-1-3-7-11(9)19-14(13)16-20-12-8-4-2-6-10(12)17(23)21(16)18(15)24/h1-8,15,18-19,22,24H |
| InChI Key | BQJHWRYMRYEXIF-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H13N3O3 |
| Molecular Weight | 319.30 g/mol |
| Exact Mass | 319.09569129 g/mol |
| Topological Polar Surface Area (TPSA) | 88.90 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of 11,12-Dihydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one](https://plantaedb.com/storage/docs/compounds/2023/11/d278f4b0-85be-11ee-82d2-05736ab49459.jpg "2D Structure of 11,12-Dihydroxy-3,13,21-triazapentacyclo[11.8.0.02,10.04,9.015,20]henicosa-1(21),2(10),4,6,8,15,17,19-octaen-14-one")
| 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 |
|---|---|---|---|---|
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.38% | 85.14% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.57% | 99.23% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 94.80% | 94.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.22% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.19% | 98.95% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 88.89% | 91.49% |
| CHEMBL1781 | P11387 | DNA topoisomerase I | 88.81% | 97.00% |
| CHEMBL1868 | P17948 | Vascular endothelial growth factor receptor 1 | 86.26% | 96.47% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.03% | 96.09% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 85.15% | 94.75% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 84.61% | 98.59% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 84.14% | 94.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.00% | 89.00% |
| CHEMBL216 | P11229 | Muscarinic acetylcholine receptor M1 | 83.72% | 94.23% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.47% | 96.25% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 83.12% | 98.46% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.05% | 96.67% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 80.37% | 92.98% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 80.20% | 96.39% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 80.11% | 89.44% |
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.
| Phellodendron amurense |
| PubChem | 162920285 |
| LOTUS | LTS0126809 |
| wikiData | Q104944387 |