19-Hydroxy-18-methoxy-22-methyl-5,7,13-trioxa-22-azahexacyclo[12.7.1.01,12.03,11.04,8.016,21]docosa-3(11),4(8),9,16,18,20-hexaen-2-one
| Internal ID | aa5b4572-f052-4ec8-a5e9-b3ab5b4bdf56 |
| Taxonomy | Benzenoids > Indanes > Indanones |
| IUPAC Name | 19-hydroxy-18-methoxy-22-methyl-5,7,13-trioxa-22-azahexacyclo[12.7.1.01,12.03,11.04,8.016,21]docosa-3(11),4(8),9,16,18,20-hexaen-2-one |
| SMILES (Canonical) | CN1C2CC3=CC(=C(C=C3C14C(O2)C5=C(C4=O)C6=C(C=C5)OCO6)O)OC |
| SMILES (Isomeric) | CN1C2CC3=CC(=C(C=C3C14C(O2)C5=C(C4=O)C6=C(C=C5)OCO6)O)OC |
| InChI | InChI=1S/C20H17NO6/c1-21-15-6-9-5-14(24-2)12(22)7-11(9)20(21)18(23)16-10(19(20)27-15)3-4-13-17(16)26-8-25-13/h3-5,7,15,19,22H,6,8H2,1-2H3 |
| InChI Key | HWEUMEIJVMZCHG-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H17NO6 |
| Molecular Weight | 367.40 g/mol |
| Exact Mass | 367.10558726 g/mol |
| Topological Polar Surface Area (TPSA) | 77.50 Ų |
| XlogP | 2.10 |
| There are no found synonyms. |
![2D Structure of 19-Hydroxy-18-methoxy-22-methyl-5,7,13-trioxa-22-azahexacyclo[12.7.1.01,12.03,11.04,8.016,21]docosa-3(11),4(8),9,16,18,20-hexaen-2-one](https://plantaedb.com/storage/docs/compounds/2023/11/4cea0f70-85f5-11ee-9519-691adc661cee.jpg "2D Structure of 19-Hydroxy-18-methoxy-22-methyl-5,7,13-trioxa-22-azahexacyclo[12.7.1.01,12.03,11.04,8.016,21]docosa-3(11),4(8),9,16,18,20-hexaen-2-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 98.49% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.97% | 91.11% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.61% | 94.45% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 96.95% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 96.73% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.41% | 95.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.48% | 96.77% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 93.23% | 83.82% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.09% | 93.99% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 92.15% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 92.14% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.82% | 89.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 89.71% | 92.62% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 88.62% | 100.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.51% | 94.00% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 88.02% | 82.67% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.22% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 86.31% | 90.00% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 85.87% | 95.62% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 84.67% | 96.86% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.75% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.30% | 99.23% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.24% | 97.09% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 82.17% | 99.15% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 81.68% | 100.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.83% | 82.38% |
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.
| Rupicapnos africana |
| PubChem | 74036367 |
| LOTUS | LTS0129670 |
| wikiData | Q105034632 |