10-Methoxy-7,7-dimethyl-8-oxa-2,14,24-triazahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3,5,9,11,17(25),18,20,22-nonaen-13-one
| Internal ID | 0b0d76d8-1fde-461a-8ff4-5684401105e9 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 10-methoxy-7,7-dimethyl-8-oxa-2,14,24-triazahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3,5,9,11,17(25),18,20,22-nonaen-13-one |
| SMILES (Canonical) | CC1(C=CC2=C3C(=CC(=C2O1)OC)C(=O)N4CCC5=C(C4=N3)NC6=CC=CC=C56)C |
| SMILES (Isomeric) | CC1(C=CC2=C3C(=CC(=C2O1)OC)C(=O)N4CCC5=C(C4=N3)NC6=CC=CC=C56)C |
| InChI | InChI=1S/C24H21N3O3/c1-24(2)10-8-15-19-16(12-18(29-3)21(15)30-24)23(28)27-11-9-14-13-6-4-5-7-17(13)25-20(14)22(27)26-19/h4-8,10,12,25H,9,11H2,1-3H3 |
| InChI Key | RJZJYBABALQRLI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C24H21N3O3 |
| Molecular Weight | 399.40 g/mol |
| Exact Mass | 399.15829154 g/mol |
| Topological Polar Surface Area (TPSA) | 66.90 Ų |
| XlogP | 3.90 |
| There are no found synonyms. |
![2D Structure of 10-Methoxy-7,7-dimethyl-8-oxa-2,14,24-triazahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3,5,9,11,17(25),18,20,22-nonaen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/7a918a20-82c2-11ee-a44e-dd4ec689971a.jpg "2D Structure of 10-Methoxy-7,7-dimethyl-8-oxa-2,14,24-triazahexacyclo[12.11.0.03,12.04,9.017,25.018,23]pentacosa-1,3,5,9,11,17(25),18,20,22-nonaen-13-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 | 99.24% | 85.14% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.75% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.52% | 96.09% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 96.33% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.85% | 91.11% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 95.36% | 99.23% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 94.96% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.89% | 98.95% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.54% | 94.45% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.07% | 93.40% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.61% | 98.75% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.10% | 94.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.00% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 90.33% | 89.00% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 89.13% | 88.56% |
| CHEMBL2095226 | P05556 | Integrin alpha-5/beta-1 | 88.89% | 96.39% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 88.18% | 85.49% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 87.48% | 96.67% |
| CHEMBL2094127 | P06493 | Cyclin-dependent kinase 1/cyclin B | 86.96% | 96.00% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 86.64% | 92.98% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 86.30% | 85.00% |
| CHEMBL4829 | O00763 | Acetyl-CoA carboxylase 2 | 85.59% | 98.00% |
| CHEMBL1914 | P06276 | Butyrylcholinesterase | 85.56% | 95.00% |
| CHEMBL2424504 | P29375 | Lysine-specific demethylase 5A | 84.49% | 99.23% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.19% | 93.65% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 84.12% | 91.49% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.09% | 92.62% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.58% | 100.00% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 81.84% | 98.59% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 81.79% | 90.20% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 81.15% | 90.00% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 81.09% | 95.53% |
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.
| Euxylophora paraensis |
| PubChem | 21769551 |
| LOTUS | LTS0039202 |
| wikiData | Q105238252 |