17-Methoxy-13-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1,3,8,10,14,16,18,20-octaen-16-ol
| Internal ID | 902c5272-76c2-4846-b585-6cf762e2b2e8 |
| Taxonomy | Organoheterocyclic compounds > Dihydroisoquinolines |
| IUPAC Name | 17-methoxy-13-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1,3,8,10,14,16,18,20-octaen-16-ol |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C20H17NO4/c1-21-6-5-13-8-18-19(25-11-24-18)9-14(13)16(21)7-12-3-4-17(23-2)20(22)15(12)10-21/h3-5,7-10H,6,11H2,1-2H3/p+1 |
| InChI Key | ZVQVISCCLGOWHH-UHFFFAOYSA-O |
| Popularity | 3 references in papers |
| Molecular Formula | C20H18NO4+ |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.12358306 g/mol |
| Topological Polar Surface Area (TPSA) | 47.90 Ų |
| XlogP | 1.10 |
| There are no found synonyms. |
![2D Structure of 17-Methoxy-13-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1,3,8,10,14,16,18,20-octaen-16-ol](https://plantaedb.com/storage/docs/compounds/2023/11/77f9daf0-857a-11ee-a85c-9774c48e6e57.jpg "2D Structure of 17-Methoxy-13-methyl-5,7-dioxa-13-azoniapentacyclo[11.8.0.02,10.04,8.015,20]henicosa-1,3,8,10,14,16,18,20-octaen-16-ol")
| 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 | 97.61% | 91.11% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.36% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.73% | 96.77% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 89.81% | 82.67% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 88.06% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.60% | 95.56% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.18% | 92.62% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 87.18% | 94.45% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 85.95% | 93.99% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.63% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.43% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.36% | 94.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 84.48% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 84.22% | 96.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 83.65% | 89.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 83.01% | 85.14% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 82.41% | 94.73% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 80.66% | 94.80% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 80.12% | 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.
| Eschscholzia californica |
| Hunnemannia fumariifolia |
| PubChem | 102387713 |
| LOTUS | LTS0103996 |
| wikiData | Q105384522 |