Dnacin A1
| Internal ID | 8215c930-cc7f-4adf-8dde-79875127afe0 |
| Taxonomy | Organoheterocyclic compounds > Isoquinolines and derivatives > Isoquinoline quinones |
| IUPAC Name | 13-amino-16-(hydroxymethyl)-20-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile |
| SMILES (Canonical) | CN1C2CC3C1C4C(C5=C(C(N4C2C#N)CO)C(=O)C(=CC5=O)N)N6C3OCC6 |
| SMILES (Isomeric) | CN1C2CC3C1C4C(C5=C(C(N4C2C#N)CO)C(=O)C(=CC5=O)N)N6C3OCC6 |
| InChI | InChI=1S/C20H23N5O4/c1-23-10-4-8-16(23)18-17(24-2-3-29-20(8)24)15-13(27)5-9(22)19(28)14(15)12(7-26)25(18)11(10)6-21/h5,8,10-12,16-18,20,26H,2-4,7,22H2,1H3 |
| InChI Key | TWRFZLWJOXKOBK-UHFFFAOYSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C20H23N5O4 |
| Molecular Weight | 397.40 g/mol |
| Exact Mass | 397.17500423 g/mol |
| Topological Polar Surface Area (TPSA) | 123.00 Ų |
| XlogP | -1.80 |
| 13-Amino-16-(hydroxymethyl)-20-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo[15.3.1.03,19.04,8.09,18.010,15]henicosa-10(15),12-diene-21-carbonitrile |
| 13-amino-16-(hydroxymethyl)-20-methyl-11,14-dioxo-5-oxa-8,17,20-triazahexacyclo(15.3.1.03,19.04,8.09,18.010,15)henicosa-10(15),12-diene-21-carbonitrile |
| RefChem:135333 |
| SCHEMBL29884684 |
| CHEBI:202558 |
| 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 |
|---|---|---|---|---|
| CHEMBL1978 | P11511 | Cytochrome P450 19A1 | 98.72% | 91.76% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.75% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.29% | 98.95% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 96.71% | 95.93% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.03% | 94.45% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.72% | 85.14% |
| CHEMBL2140 | P48775 | Tryptophan 2,3-dioxygenase | 92.00% | 98.46% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 89.14% | 97.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.13% | 95.56% |
| CHEMBL1871 | P10275 | Androgen Receptor | 86.70% | 96.43% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.95% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 84.80% | 89.00% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.25% | 100.00% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 83.90% | 80.71% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 83.50% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.64% | 95.89% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 82.16% | 94.80% |
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 | 11741510 |
| LOTUS | LTS0084333 |
| wikiData | Q77372084 |