2-Methoxy-6,6-dimethyl-7,12,14-trioxa-9-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11(15),16-pentaen-5-ol
| Internal ID | 76f49101-6870-4fc7-bb73-aa3869fbf0bd |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Quinolones and derivatives > Pyranoquinolines |
| IUPAC Name | 2-methoxy-6,6-dimethyl-7,12,14-trioxa-9-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11(15),16-pentaen-5-ol |
| SMILES (Canonical) | CC1(C(CC2=C(C3=C(C4=C(C=C3)OCO4)N=C2O1)OC)O)C |
| SMILES (Isomeric) | CC1(C(CC2=C(C3=C(C4=C(C=C3)OCO4)N=C2O1)OC)O)C |
| InChI | InChI=1S/C16H17NO5/c1-16(2)11(18)6-9-13(19-3)8-4-5-10-14(21-7-20-10)12(8)17-15(9)22-16/h4-5,11,18H,6-7H2,1-3H3 |
| InChI Key | YQLAEXHOVHTUNV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C16H17NO5 |
| Molecular Weight | 303.31 g/mol |
| Exact Mass | 303.11067264 g/mol |
| Topological Polar Surface Area (TPSA) | 70.00 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 2-Methoxy-6,6-dimethyl-7,12,14-trioxa-9-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11(15),16-pentaen-5-ol](https://plantaedb.com/storage/docs/compounds/2023/11/059cf680-82cf-11ee-996e-f34a577d5031.jpg "2D Structure of 2-Methoxy-6,6-dimethyl-7,12,14-trioxa-9-azatetracyclo[8.7.0.03,8.011,15]heptadeca-1(10),2,8,11(15),16-pentaen-5-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 | 96.70% | 91.11% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.34% | 96.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 93.93% | 94.45% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 92.25% | 96.77% |
| CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 91.18% | 85.30% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 91.05% | 92.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.29% | 85.14% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.64% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.00% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.71% | 95.56% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 86.53% | 99.23% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 86.32% | 80.96% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 83.52% | 97.09% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 82.66% | 95.89% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 82.45% | 82.67% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 81.47% | 96.00% |
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.
| Ptelea trifoliata |
| PubChem | 14845309 |
| LOTUS | LTS0059433 |
| wikiData | Q105352265 |