(12R)-7,16-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14(19),15,17-hexaen-18-ol
| Internal ID | 252d9fdb-5f2f-4ed6-8ef5-1e34bb37352f |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12R)-7,16-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14(19),15,17-hexaen-18-ol |
| SMILES (Canonical) | COC1=CC2=C(C(=C1)O)C3=C4C(=C(C5=C3C(C2)NCC5)OC)OCO4 |
| SMILES (Isomeric) | COC1=CC2=C(C(=C1)O)C3=C4C(=C(C5=C3[C@@H](C2)NCC5)OC)OCO4 |
| InChI | InChI=1S/C19H19NO5/c1-22-10-5-9-6-12-15-11(3-4-20-12)17(23-2)19-18(24-8-25-19)16(15)14(9)13(21)7-10/h5,7,12,20-21H,3-4,6,8H2,1-2H3/t12-/m1/s1 |
| InChI Key | QMUITAHSZWMILL-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H19NO5 |
| Molecular Weight | 341.40 g/mol |
| Exact Mass | 341.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 69.20 Ų |
| XlogP | 2.40 |
| There are no found synonyms. |
![2D Structure of (12R)-7,16-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14(19),15,17-hexaen-18-ol](https://plantaedb.com/storage/docs/compounds/2023/11/6b552770-8682-11ee-99bc-f317974bb927.jpg "2D Structure of (12R)-7,16-dimethoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1,6,8(20),14(19),15,17-hexaen-18-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 | 98.40% | 91.11% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 97.56% | 96.76% |
| CHEMBL215 | P09917 | Arachidonate 5-lipoxygenase | 95.32% | 92.68% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 95.14% | 97.09% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 94.97% | 94.45% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.75% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.40% | 93.40% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.90% | 95.56% |
| CHEMBL3231 | Q13464 | Rho-associated protein kinase 1 | 92.26% | 95.55% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.22% | 91.79% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 89.75% | 93.99% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 88.31% | 96.77% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.51% | 90.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.72% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 85.86% | 94.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.63% | 92.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.17% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.59% | 98.75% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.52% | 82.67% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 84.31% | 86.33% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.19% | 95.89% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.19% | 91.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 82.18% | 88.48% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.14% | 99.17% |
| CHEMBL1860 | P10827 | Thyroid hormone receptor alpha | 81.53% | 99.15% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.38% | 92.62% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 80.88% | 91.03% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 80.62% | 99.23% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 80.16% | 95.89% |
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.
| Duguetia yeshidan |
| PubChem | 163105689 |
| LOTUS | LTS0117073 |
| wikiData | Q105224153 |