(12S)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene
| Internal ID | ff7292f3-f140-4f21-a986-950f43b6d3b4 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12S)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene |
| SMILES (Canonical) | COC1=CC2=C(CC3C4=C2C5=C(C=C4CCN3)OCO5)C=C1 |
| SMILES (Isomeric) | COC1=CC2=C(C[C@H]3C4=C2C5=C(C=C4CCN3)OCO5)C=C1 |
| InChI | InChI=1S/C18H17NO3/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/h2-3,7-8,14,19H,4-6,9H2,1H3/t14-/m0/s1 |
| InChI Key | RXJUIQSLHGASSV-AWEZNQCLSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H17NO3 |
| Molecular Weight | 295.30 g/mol |
| Exact Mass | 295.12084340 g/mol |
| Topological Polar Surface Area (TPSA) | 39.70 Ų |
| XlogP | 2.80 |
| There are no found synonyms. |
![2D Structure of (12S)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/67465280-8169-11ee-af72-67d79a694710.jpg "2D Structure of (12S)-17-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14(19),15,17-hexaene")
| 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 | 98.33% | 91.11% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 97.22% | 96.77% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 97.22% | 95.55% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.09% | 91.49% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 97.04% | 92.51% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 96.76% | 97.09% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 95.91% | 93.99% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.21% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 93.94% | 90.00% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 93.05% | 92.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.79% | 95.89% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 90.32% | 88.48% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.79% | 86.33% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 88.71% | 94.80% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 88.29% | 80.96% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.80% | 94.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.75% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.25% | 95.56% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 85.89% | 91.79% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.82% | 94.45% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.22% | 82.67% |
| CHEMBL4581 | P52732 | Kinesin-like protein 1 | 82.92% | 93.18% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.76% | 99.17% |
| CHEMBL2292 | Q13627 | Dual-specificity tyrosine-phosphorylation regulated kinase 1A | 82.52% | 93.24% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.79% | 100.00% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.72% | 91.00% |
| CHEMBL3880 | P07900 | Heat shock protein HSP 90-alpha | 80.03% | 96.21% |
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.
| Annona squamosa |
| PubChem | 101687644 |
| LOTUS | LTS0175072 |
| wikiData | Q105247090 |