1-[(1S,12R)-8-methoxy-21-methyl-11-oxa-6,19,21-triazahexacyclo[10.7.4.01,12.02,10.03,7.013,18]tricosa-2,4,7,9,13,15,17-heptaen-4-yl]-N,N-dimethylmethanamine
| Internal ID | 08ada05a-bbc1-4175-8ac9-dce6dca22d66 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Pyridoindoles > Beta carbolines |
| IUPAC Name | 1-[(1S,12R)-8-methoxy-21-methyl-11-oxa-6,19,21-triazahexacyclo[10.7.4.01,12.02,10.03,7.013,18]tricosa-2,4,7,9,13,15,17-heptaen-4-yl]-N,N-dimethylmethanamine |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C24H28N4O2/c1-27(2)13-15-12-25-22-19(29-4)11-18-21(20(15)22)23-14-28(3)10-9-24(23,30-18)16-7-5-6-8-17(16)26-23/h5-8,11-12,25-26H,9-10,13-14H2,1-4H3/t23-,24-/m1/s1 |
| InChI Key | ACLHIKYUUPINNW-DNQXCXABSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C24H28N4O2 |
| Molecular Weight | 404.50 g/mol |
| Exact Mass | 404.22122615 g/mol |
| Topological Polar Surface Area (TPSA) | 52.80 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of 1-[(1S,12R)-8-methoxy-21-methyl-11-oxa-6,19,21-triazahexacyclo[10.7.4.01,12.02,10.03,7.013,18]tricosa-2,4,7,9,13,15,17-heptaen-4-yl]-N,N-dimethylmethanamine](https://plantaedb.com/storage/docs/compounds/2023/11/c4dad690-8531-11ee-905c-1dd386061d24.jpg "2D Structure of 1-[(1S,12R)-8-methoxy-21-methyl-11-oxa-6,19,21-triazahexacyclo[10.7.4.01,12.02,10.03,7.013,18]tricosa-2,4,7,9,13,15,17-heptaen-4-yl]-N,N-dimethylmethanamine")
| 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 | 99.58% | 96.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 98.54% | 93.99% |
| CHEMBL228 | P31645 | Serotonin transporter | 97.59% | 95.51% |
| CHEMBL4145 | Q9UKV0 | Histone deacetylase 9 | 95.44% | 85.49% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.97% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.77% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.17% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 91.99% | 90.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 91.57% | 96.77% |
| CHEMBL204 | P00734 | Thrombin | 91.29% | 96.01% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.89% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.05% | 94.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.57% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.36% | 95.89% |
| CHEMBL3476 | O15111 | Inhibitor of nuclear factor kappa B kinase alpha subunit | 88.20% | 95.83% |
| CHEMBL2716 | Q8WUI4 | Histone deacetylase 7 | 87.95% | 89.44% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 87.77% | 90.24% |
| CHEMBL255 | P29275 | Adenosine A2b receptor | 87.26% | 98.59% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 86.68% | 100.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.28% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 85.17% | 82.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 84.65% | 97.14% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 83.96% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.31% | 98.75% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 82.25% | 88.56% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 82.15% | 90.08% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 80.50% | 90.95% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 80.43% | 96.00% |
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.
| Phalaris coerulescens |
| PubChem | 16069528 |
| LOTUS | LTS0123318 |
| wikiData | Q104909165 |