17-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,11,14(19),15,17-heptaene
| Internal ID | 776f7550-0d88-4b05-b5b3-a5a663631edd |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,11,14(19),15,17-heptaene |
| SMILES (Canonical) | COC1=CC2=C(CC3=NCCC4=CC5=C(C2=C43)OCO5)C=C1 |
| SMILES (Isomeric) | COC1=CC2=C(CC3=NCCC4=CC5=C(C2=C43)OCO5)C=C1 |
| InChI | InChI=1S/C18H15NO3/c1-20-12-3-2-10-6-14-16-11(4-5-19-14)7-15-18(22-9-21-15)17(16)13(10)8-12/h2-3,7-8H,4-6,9H2,1H3 |
| InChI Key | JAUBYLKXQICYCK-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H15NO3 |
| Molecular Weight | 293.30 g/mol |
| Exact Mass | 293.10519334 g/mol |
| Topological Polar Surface Area (TPSA) | 40.00 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of 17-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,11,14(19),15,17-heptaene](https://plantaedb.com/storage/docs/compounds/2023/11/2f719320-85c0-11ee-9c10-d99664089fc7.jpg "2D Structure of 17-Methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,11,14(19),15,17-heptaene")
| 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 | 98.99% | 96.77% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.34% | 91.11% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 96.71% | 92.51% |
| CHEMBL240 | Q12809 | HERG | 95.70% | 89.76% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.25% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.94% | 96.09% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 94.66% | 92.62% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 92.37% | 96.21% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 92.12% | 82.67% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.51% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.33% | 95.89% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 89.89% | 90.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.52% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.12% | 98.95% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 87.94% | 95.78% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 87.86% | 80.96% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.79% | 93.99% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.61% | 99.17% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 87.55% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 85.64% | 94.80% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 84.94% | 81.29% |
| CHEMBL264 | Q9Y5N1 | Histamine H3 receptor | 84.92% | 91.43% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 84.57% | 99.15% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 83.81% | 88.48% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 83.21% | 91.79% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 81.27% | 93.40% |
| CHEMBL3492 | P49721 | Proteasome Macropain subunit | 80.70% | 90.24% |
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.
| Hedycarya angustifolia |
| PubChem | 13892586 |
| LOTUS | LTS0203562 |
| wikiData | Q105124075 |