(2Z,5S,7R,8S,9R)-15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,13,15-tetraene-5,7-diol
| Internal ID | 6fe5d50d-ca44-4d4d-aecf-41574aed5f9e |
| Taxonomy | Organoheterocyclic compounds > Tetrahydroisoquinolines |
| IUPAC Name | (2Z,5S,7R,8S,9R)-15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,13,15-tetraene-5,7-diol |
| SMILES (Canonical) | COC1=C(C2=C3C(C4C(CC(CC=C2O4)O)O)NCCC3=C1)OC |
| SMILES (Isomeric) | COC1=C(C\2=C3[C@H]([C@H]4[C@@H](C[C@H](C/C=C2\O4)O)O)NCCC3=C1)OC |
| InChI | InChI=1S/C18H23NO5/c1-22-13-7-9-5-6-19-16-14(9)15(18(13)23-2)12-4-3-10(20)8-11(21)17(16)24-12/h4,7,10-11,16-17,19-21H,3,5-6,8H2,1-2H3/b12-4-/t10-,11+,16+,17+/m0/s1 |
| InChI Key | UPEXXQNYQJJGAY-VQEMZPOISA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H23NO5 |
| Molecular Weight | 333.40 g/mol |
| Exact Mass | 333.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 80.20 Ų |
| XlogP | 0.80 |
| There are no found synonyms. |
![2D Structure of (2Z,5S,7R,8S,9R)-15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,13,15-tetraene-5,7-diol](https://plantaedb.com/storage/docs/compounds/2023/11/47ba9940-84ae-11ee-8e09-273833ff2f34.jpg "2D Structure of (2Z,5S,7R,8S,9R)-15,16-dimethoxy-18-oxa-10-azatetracyclo[7.7.1.12,8.013,17]octadeca-1(17),2,13,15-tetraene-5,7-diol")
| 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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.96% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 94.74% | 91.11% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 93.65% | 97.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.63% | 92.94% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 88.85% | 91.79% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.81% | 94.00% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.49% | 94.45% |
| CHEMBL213 | P08588 | Beta-1 adrenergic receptor | 87.98% | 95.56% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 86.65% | 89.50% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 85.36% | 99.17% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.30% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.85% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 83.77% | 86.33% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 83.56% | 92.62% |
| CHEMBL4793 | Q86TI2 | Dipeptidyl peptidase IX | 82.44% | 96.95% |
| CHEMBL4657 | Q6V1X1 | Dipeptidyl peptidase VIII | 82.26% | 97.21% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 81.83% | 89.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 80.99% | 98.75% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.75% | 93.99% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 80.45% | 100.00% |
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.
| Stephania excentrica |
| PubChem | 101701407 |
| LOTUS | LTS0222805 |
| wikiData | Q105276747 |