(1R,11S,15R,18R,19S)-14-methyl-5,7,20,21-tetraoxa-14-azahexacyclo[16.2.1.02,10.04,8.011,15.011,19]henicosa-2,4(8),9-triene
| Internal ID | 5fea4a1f-7de6-44bc-9f37-8dea4ab8f7e4 |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | (1R,11S,15R,18R,19S)-14-methyl-5,7,20,21-tetraoxa-14-azahexacyclo[16.2.1.02,10.04,8.011,15.011,19]henicosa-2,4(8),9-triene |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C17H19NO4/c1-18-5-4-17-10-7-13-12(19-8-20-13)6-9(10)16-21-11(15(17)22-16)2-3-14(17)18/h6-7,11,14-16H,2-5,8H2,1H3/t11-,14-,15-,16-,17+/m1/s1 |
| InChI Key | CBTLTHNUFAXDBE-YFTGLANFSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C17H19NO4 |
| Molecular Weight | 301.34 g/mol |
| Exact Mass | 301.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (1R,11S,15R,18R,19S)-14-methyl-5,7,20,21-tetraoxa-14-azahexacyclo[16.2.1.02,10.04,8.011,15.011,19]henicosa-2,4(8),9-triene](https://plantaedb.com/storage/docs/compounds/2023/11/afd8faa0-8615-11ee-a56c-63488aa50ab4.jpg "2D Structure of (1R,11S,15R,18R,19S)-14-methyl-5,7,20,21-tetraoxa-14-azahexacyclo[16.2.1.02,10.04,8.011,15.011,19]henicosa-2,4(8),9-triene")
| 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 | 97.39% | 96.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.27% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.01% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.85% | 94.45% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 91.60% | 83.57% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.48% | 91.11% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 89.25% | 90.24% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 88.79% | 93.04% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 88.53% | 97.25% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.52% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.52% | 90.00% |
| CHEMBL2730 | P21980 | Protein-glutamine gamma-glutamyltransferase | 87.96% | 92.38% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 87.35% | 96.76% |
| CHEMBL4803 | P29474 | Nitric-oxide synthase, endothelial | 86.71% | 86.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.12% | 90.71% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.64% | 95.56% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.44% | 94.80% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 85.28% | 100.00% |
| CHEMBL238 | Q01959 | Dopamine transporter | 85.10% | 95.88% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 84.89% | 97.09% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 84.64% | 80.96% |
| CHEMBL3137261 | O14744 | PRMT5/MEP50 complex | 83.67% | 100.00% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 83.44% | 93.18% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 81.03% | 85.30% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.88% | 89.62% |
| CHEMBL3384 | Q16512 | Protein kinase N1 | 80.43% | 80.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.14% | 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.
| Crinum kirkii |
| PubChem | 163059934 |
| LOTUS | LTS0130274 |
| wikiData | Q104952821 |