9-Hydroxy-6-methoxy-8,9-bis(methoxycarbonyl)-8,17-diazapentacyclo[11.6.1.01,10.02,7.017,20]icosa-2(7),3,5,14-tetraene-13-carboxylic acid
| Internal ID | 96ab5791-bb2e-43a3-bf49-381a338c84b3 |
| Taxonomy | Alkaloids and derivatives > Melodinus alkaloids |
| IUPAC Name | 9-hydroxy-6-methoxy-8,9-bis(methoxycarbonyl)-8,17-diazapentacyclo[11.6.1.01,10.02,7.017,20]icosa-2(7),3,5,14-tetraene-13-carboxylic acid |
| SMILES (Canonical) | COC1=CC=CC2=C1N(C(C3C24CCN5C4C(CC3)(C=CC5)C(=O)O)(C(=O)OC)O)C(=O)OC |
| SMILES (Isomeric) | COC1=CC=CC2=C1N(C(C3C24CCN5C4C(CC3)(C=CC5)C(=O)O)(C(=O)OC)O)C(=O)OC |
| InChI | InChI=1S/C24H28N2O8/c1-32-15-7-4-6-14-17(15)26(21(30)34-3)24(31,20(29)33-2)16-8-10-22(19(27)28)9-5-12-25-13-11-23(14,16)18(22)25/h4-7,9,16,18,31H,8,10-13H2,1-3H3,(H,27,28) |
| InChI Key | HTNHBWITZORDGY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H28N2O8 |
| Molecular Weight | 472.50 g/mol |
| Exact Mass | 472.18456586 g/mol |
| Topological Polar Surface Area (TPSA) | 126.00 Ų |
| XlogP | -0.30 |
| There are no found synonyms. |
![2D Structure of 9-Hydroxy-6-methoxy-8,9-bis(methoxycarbonyl)-8,17-diazapentacyclo[11.6.1.01,10.02,7.017,20]icosa-2(7),3,5,14-tetraene-13-carboxylic acid](https://plantaedb.com/storage/docs/compounds/2023/11/1365cef0-842f-11ee-b56a-4fc27a2311e5.jpg "2D Structure of 9-Hydroxy-6-methoxy-8,9-bis(methoxycarbonyl)-8,17-diazapentacyclo[11.6.1.01,10.02,7.017,20]icosa-2(7),3,5,14-tetraene-13-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.36% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.80% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.55% | 91.11% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.67% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.67% | 86.33% |
| CHEMBL205 | P00918 | Carbonic anhydrase II | 92.82% | 98.44% |
| CHEMBL5028 | O14672 | ADAM10 | 90.46% | 97.50% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.31% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 89.51% | 97.14% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 88.55% | 96.76% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 87.78% | 91.19% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.85% | 90.00% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 85.57% | 82.69% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 85.56% | 93.03% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 85.51% | 97.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.16% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 84.79% | 94.45% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.24% | 98.75% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.62% | 90.20% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.28% | 99.23% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.07% | 91.03% |
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.
| Kopsia singapurensis |
| PubChem | 163011032 |
| LOTUS | LTS0112168 |
| wikiData | Q105033521 |