(1R,11S,15R,18R,19S)-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 | c042dc96-9165-444b-bdd5-6335efe1534e |
| Taxonomy | Organoheterocyclic compounds > Benzopyrans > 2-benzopyrans |
| IUPAC Name | (1R,11S,15R,18R,19S)-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/C16H17NO4/c1-2-13-16(3-4-17-13)9-6-12-11(18-7-19-12)5-8(9)15-20-10(1)14(16)21-15/h5-6,10,13-15,17H,1-4,7H2/t10-,13-,14-,15-,16+/m1/s1 |
| InChI Key | OIVKKFMREWGHJM-YBUXEROVSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C16H17NO4 |
| Molecular Weight | 287.31 g/mol |
| Exact Mass | 287.11575802 g/mol |
| Topological Polar Surface Area (TPSA) | 49.00 Ų |
| XlogP | 1.40 |
| There are no found synonyms. |
![2D Structure of (1R,11S,15R,18R,19S)-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/bb7e9170-85c5-11ee-910e-5f435ad75cbc.jpg "2D Structure of (1R,11S,15R,18R,19S)-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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.07% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 96.90% | 94.45% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.72% | 97.09% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.75% | 96.77% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 93.18% | 97.25% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 90.71% | 94.80% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 90.35% | 92.62% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 90.19% | 80.96% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 85.86% | 82.67% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.36% | 95.89% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.67% | 96.09% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 84.25% | 85.30% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 83.33% | 93.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.64% | 100.00% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 82.48% | 93.04% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.27% | 90.24% |
| CHEMBL238 | Q01959 | Dopamine transporter | 81.63% | 95.88% |
| CHEMBL226 | P30542 | Adenosine A1 receptor | 80.67% | 95.93% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 80.32% | 93.40% |
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 | 12137244 |
| LOTUS | LTS0074619 |
| wikiData | Q105192868 |