Methyl 4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6,14,17-pentaene-18-carboxylate
Internal ID | 0fe9e710-63cb-41ca-aa8a-47f4144104f9 |
Taxonomy | Alkaloids and derivatives > Aspidofractine alkaloids |
IUPAC Name | methyl 4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6,14,17-pentaene-18-carboxylate |
SMILES (Canonical) | COC1=CC=CC2=C1NC34C25CCN6C5C(CC3)(C=CC6)C=C4C(=O)OC |
SMILES (Isomeric) | COC1=CC=CC2=C1NC34C25CCN6C5C(CC3)(C=CC6)C=C4C(=O)OC |
InChI | InChI=1S/C22H24N2O3/c1-26-16-6-3-5-14-17(16)23-22-9-8-20(13-15(22)18(25)27-2)7-4-11-24-12-10-21(14,22)19(20)24/h3-7,13,19,23H,8-12H2,1-2H3 |
InChI Key | ODBHRWMYWUAHLS-UHFFFAOYSA-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) | 50.80 Ų |
XlogP | 2.80 |
There are no found synonyms. |
![2D Structure of Methyl 4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6,14,17-pentaene-18-carboxylate 2D Structure of Methyl 4-methoxy-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6,14,17-pentaene-18-carboxylate](https://plantaedb.com/storage/docs/compounds/2023/11/6cbd3c30-85d2-11ee-9319-91190af1bcf2.jpg)
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 | 99.36% | 96.09% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 96.23% | 85.14% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.47% | 94.45% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.10% | 86.33% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.26% | 91.11% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.79% | 95.89% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.39% | 95.56% |
CHEMBL2535 | P11166 | Glucose transporter | 87.29% | 98.75% |
CHEMBL2581 | P07339 | Cathepsin D | 86.57% | 98.95% |
CHEMBL4208 | P20618 | Proteasome component C5 | 86.50% | 90.00% |
CHEMBL5028 | O14672 | ADAM10 | 86.16% | 97.50% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.45% | 99.23% |
CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.97% | 97.09% |
CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 80.46% | 93.03% |
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 fruticosa |
PubChem | 73803959 |
LOTUS | LTS0198224 |
wikiData | Q105189705 |