14-Hydroxy-4,15-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one
| Internal ID | 1f1bfdf9-8ddc-4dac-b2a5-7efed9606bf6 |
| Taxonomy | Alkaloids and derivatives > Aristolactams |
| IUPAC Name | 14-hydroxy-4,15-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one |
| SMILES (Canonical) | COC1=CC2=C3C4=C(C=C2C=C1)NC(=O)C4=CC(=C3OC)O |
| SMILES (Isomeric) | COC1=CC2=C3C4=C(C=C2C=C1)NC(=O)C4=CC(=C3OC)O |
| InChI | InChI=1S/C17H13NO4/c1-21-9-4-3-8-5-12-14-11(17(20)18-12)7-13(19)16(22-2)15(14)10(8)6-9/h3-7,19H,1-2H3,(H,18,20) |
| InChI Key | XQTQPBAROQYWHN-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C17H13NO4 |
| Molecular Weight | 295.29 g/mol |
| Exact Mass | 295.08445790 g/mol |
| Topological Polar Surface Area (TPSA) | 67.80 Ų |
| XlogP | 2.90 |
| DTXSID001226774 |
| 1,9-Dimethoxy-2-hydroxydibenz[cd,f]indol-4(5H)-one |
| 2-Hydroxy-1,9-dimethoxydibenz[cd,f]indol-4(5H)-one |
![2D Structure of 14-Hydroxy-4,15-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-one](https://plantaedb.com/storage/docs/compounds/2023/11/9b509bf0-85dc-11ee-a02b-ab328b75f825.jpg "2D Structure of 14-Hydroxy-4,15-dimethoxy-10-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1,3,5,7,9(16),12,14-heptaen-11-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 99.31% | 91.11% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 95.75% | 94.00% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 95.23% | 99.15% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.60% | 94.75% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.22% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.14% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.67% | 94.45% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 90.54% | 93.31% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.26% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.36% | 98.75% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 87.28% | 93.03% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 87.14% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 86.92% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.73% | 93.99% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.09% | 99.23% |
| CHEMBL2085 | P14174 | Macrophage migration inhibitory factor | 84.43% | 80.78% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.81% | 92.94% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.66% | 86.33% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.56% | 96.67% |
| CHEMBL3864 | Q06124 | Protein-tyrosine phosphatase 2C | 81.16% | 94.42% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 81.00% | 91.07% |
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.
| Aristolochia kaempferi |
| Aristolochia liukiuensis |
| Casuarina equisetifolia |
| PubChem | 10017381 |
| LOTUS | LTS0219935 |
| wikiData | Q105214229 |