methyl (1R,10R,13R,20S)-6-methoxy-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2(7),3,5,8,14-pentaene-10-carboxylate
| Internal ID | 6c0b37a8-0852-4744-8c03-f12749558217 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Indoles > 3-alkylindoles |
| IUPAC Name | methyl (1R,10R,13R,20S)-6-methoxy-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2(7),3,5,8,14-pentaene-10-carboxylate |
| SMILES (Canonical) | COC1=CC=CC2=C1N=C3C24CCN5C4C6(CCC3(C6)C(=O)OC)C=CC5 |
| SMILES (Isomeric) | COC1=CC=CC2=C1N=C3[C@]24CCN5[C@H]4[C@@]6(CC[C@]3(C6)C(=O)OC)C=CC5 |
| InChI | InChI=1S/C22H24N2O3/c1-26-15-6-3-5-14-16(15)23-17-21(19(25)27-2)9-8-20(13-21)7-4-11-24-12-10-22(14,17)18(20)24/h3-7,18H,8-13H2,1-2H3/t18-,20+,21+,22-/m0/s1 |
| InChI Key | IUFMIZJRZKMHTI-PDGJWGCVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H24N2O3 |
| Molecular Weight | 364.40 g/mol |
| Exact Mass | 364.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 51.10 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of methyl (1R,10R,13R,20S)-6-methoxy-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2(7),3,5,8,14-pentaene-10-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/517a46a0-8565-11ee-9fe6-2b64df8faaa6.jpg "2D Structure of methyl (1R,10R,13R,20S)-6-methoxy-8,17-diazahexacyclo[11.6.1.110,13.01,9.02,7.017,20]henicosa-2(7),3,5,8,14-pentaene-10-carboxylate")
| 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 | 98.93% | 96.09% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 98.55% | 85.14% |
| CHEMBL2535 | P11166 | Glucose transporter | 89.95% | 98.75% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 88.15% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.65% | 99.23% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.94% | 90.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.83% | 91.11% |
| CHEMBL220 | P22303 | Acetylcholinesterase | 85.83% | 94.45% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.00% | 94.00% |
| CHEMBL5028 | O14672 | ADAM10 | 84.83% | 97.50% |
| CHEMBL3713062 | P10646 | Tissue factor pathway inhibitor | 84.66% | 97.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 84.36% | 98.95% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 84.17% | 83.82% |
| CHEMBL4026 | P40763 | Signal transducer and activator of transcription 3 | 83.17% | 82.69% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.90% | 95.89% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.55% | 92.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 80.80% | 97.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.39% | 86.33% |
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 fruticosa |
| PubChem | 12116555 |
| LOTUS | LTS0079581 |
| wikiData | Q105120530 |