18-Hydroxy-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,16-tetraene-11,12-dione
| Internal ID | 54234444-a13e-42f8-8261-b734ee4d1a87 |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Erythrinanes |
| IUPAC Name | 18-hydroxy-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,16-tetraene-11,12-dione |
| SMILES (Canonical) | COC1CC23C(=CC1O)CCN2C(=O)C(=O)C4=CC5=C(C=C34)OCO5 |
| SMILES (Isomeric) | COC1CC23C(=CC1O)CCN2C(=O)C(=O)C4=CC5=C(C=C34)OCO5 |
| InChI | InChI=1S/C18H17NO6/c1-23-15-7-18-9(4-12(15)20)2-3-19(18)17(22)16(21)10-5-13-14(6-11(10)18)25-8-24-13/h4-6,12,15,20H,2-3,7-8H2,1H3 |
| InChI Key | CEUNSYOTFGFXNZ-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H17NO6 |
| Molecular Weight | 343.30 g/mol |
| Exact Mass | 343.10558726 g/mol |
| Topological Polar Surface Area (TPSA) | 85.30 Ų |
| XlogP | 0.10 |
| There are no found synonyms. |
![2D Structure of 18-Hydroxy-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,16-tetraene-11,12-dione](https://plantaedb.com/storage/docs/compounds/2023/11/9cc035b0-8649-11ee-8d06-29ca9bee40c7.jpg "2D Structure of 18-Hydroxy-19-methoxy-5,7-dioxa-13-azapentacyclo[11.7.0.01,16.02,10.04,8]icosa-2,4(8),9,16-tetraene-11,12-dione")
| 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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 99.18% | 96.77% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 97.22% | 85.14% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.48% | 98.95% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.95% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.17% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.64% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.84% | 91.11% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 91.20% | 96.09% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 89.90% | 100.00% |
| CHEMBL4685 | P14902 | Indoleamine 2,3-dioxygenase | 88.22% | 96.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.66% | 99.23% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 86.73% | 89.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 83.56% | 90.24% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.34% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.49% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.19% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.18% | 90.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.16% | 82.67% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.24% | 92.94% |
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.
| Erythrina subumbrans |
| PubChem | 162992989 |
| LOTUS | LTS0170193 |
| wikiData | Q104956068 |