(1S,16S,19R,21S)-16,20,20-trimethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5(10),6,8,12-hexaene-8-carbaldehyde
| Internal ID | bdeb6c27-6af2-43d4-ab19-949816a954c2 |
| Taxonomy | Organoheterocyclic compounds > Indoles and derivatives > Carbazoles |
| IUPAC Name | (1S,16S,19R,21S)-16,20,20-trimethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5(10),6,8,12-hexaene-8-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C23H23NO2/c1-22(2)15-8-9-23(3)19(15)20(22)18-17(26-23)7-5-13-14-10-12(11-25)4-6-16(14)24-21(13)18/h4-7,10-11,15,19-20,24H,8-9H2,1-3H3/t15-,19+,20+,23+/m1/s1 |
| InChI Key | HRQRFLWDLQJEKQ-IVYXGSQZSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C23H23NO2 |
| Molecular Weight | 345.40 g/mol |
| Exact Mass | 345.172878976 g/mol |
| Topological Polar Surface Area (TPSA) | 42.10 Ų |
| XlogP | 4.90 |
| There are no found synonyms. |
![2D Structure of (1S,16S,19R,21S)-16,20,20-trimethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5(10),6,8,12-hexaene-8-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/6106daa0-8606-11ee-81f7-99f8860ac2db.jpg "2D Structure of (1S,16S,19R,21S)-16,20,20-trimethyl-15-oxa-4-azahexacyclo[14.4.1.02,14.03,11.05,10.019,21]henicosa-2(14),3(11),5(10),6,8,12-hexaene-8-carbaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 98.42% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.14% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.45% | 95.56% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 96.04% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.22% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.75% | 93.40% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 93.21% | 100.00% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.32% | 89.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 91.99% | 92.94% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.87% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 91.78% | 94.75% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 91.62% | 97.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 90.36% | 85.30% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 86.00% | 94.80% |
| CHEMBL2288 | Q13526 | Peptidyl-prolyl cis-trans isomerase NIMA-interacting 1 | 85.24% | 91.71% |
| CHEMBL325 | Q13547 | Histone deacetylase 1 | 84.15% | 95.92% |
| CHEMBL233 | P35372 | Mu opioid receptor | 83.38% | 97.93% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.16% | 90.00% |
| CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 82.41% | 97.28% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 82.40% | 92.98% |
| CHEMBL2035 | P08912 | Muscarinic acetylcholine receptor M5 | 82.39% | 94.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.09% | 95.89% |
| CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 81.12% | 88.56% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 80.69% | 93.24% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.25% | 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.
| Bergera euchrestifolia |
| PubChem | 162937949 |
| LOTUS | LTS0070731 |
| wikiData | Q105032787 |