(2S,3S,10R)-20-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one
| Internal ID | edafda20-552c-4a1c-bed7-e876770c6db2 |
| Taxonomy | Alkaloids and derivatives > Amaryllidaceae alkaloids > Homolycorine-type amaryllidaceae alkaloids |
| IUPAC Name | (2S,3S,10R)-20-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one |
| SMILES (Canonical) | CN1CCC2=CCC3C(C21)C4=C(C5=C(C=C4C(=O)O3)OCO5)OC |
| SMILES (Isomeric) | CN1CCC2=CC[C@@H]3[C@H]([C@@H]21)C4=C(C5=C(C=C4C(=O)O3)OCO5)OC |
| InChI | InChI=1S/C18H19NO5/c1-19-6-5-9-3-4-11-14(15(9)19)13-10(18(20)24-11)7-12-16(17(13)21-2)23-8-22-12/h3,7,11,14-15H,4-6,8H2,1-2H3/t11-,14+,15-/m1/s1 |
| InChI Key | HRQKWQANALFRKZ-BYCMXARLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H19NO5 |
| Molecular Weight | 329.30 g/mol |
| Exact Mass | 329.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 1.80 |
| There are no found synonyms. |
![2D Structure of (2S,3S,10R)-20-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one](https://plantaedb.com/storage/docs/compounds/2023/11/56b9b5b0-85ae-11ee-b631-af41ada960cc.jpg "2D Structure of (2S,3S,10R)-20-methoxy-4-methyl-11,16,18-trioxa-4-azapentacyclo[11.7.0.02,10.03,7.015,19]icosa-1(20),7,13,15(19)-tetraen-12-one")
| 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 | 99.31% | 96.77% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.68% | 93.40% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.18% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.96% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.07% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.16% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 88.09% | 98.75% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.08% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.86% | 90.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 86.64% | 82.67% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.56% | 94.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.99% | 99.23% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.41% | 92.62% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 81.60% | 96.86% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.34% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.52% | 82.38% |
| CHEMBL253 | P34972 | Cannabinoid CB2 receptor | 80.17% | 97.25% |
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.
| There are no matching plants. |
| PubChem | 15558824 |
| LOTUS | LTS0082837 |
| wikiData | Q105032785 |