(10R)-5-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaene-4,17-diol
| Internal ID | 0b3daa88-71f3-475f-bc7a-a3b64e9aad49 |
| Taxonomy | Alkaloids and derivatives > Cularin alkaloids and derivatives |
| IUPAC Name | (10R)-5-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaene-4,17-diol |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=C(C(=C(C=C4)OC)O)OC3=C(C=C2)O |
| SMILES (Isomeric) | CN1CCC2=C3[C@H]1CC4=C(C(=C(C=C4)OC)O)OC3=C(C=C2)O |
| InChI | InChI=1S/C18H19NO4/c1-19-8-7-10-3-5-13(20)18-15(10)12(19)9-11-4-6-14(22-2)16(21)17(11)23-18/h3-6,12,20-21H,7-9H2,1-2H3/t12-/m1/s1 |
| InChI Key | ZBTOEEFERPMYTH-GFCCVEGCSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H19NO4 |
| Molecular Weight | 313.30 g/mol |
| Exact Mass | 313.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 62.20 Ų |
| XlogP | 2.70 |
| NSC607317 |
![2D Structure of (10R)-5-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaene-4,17-diol](https://plantaedb.com/storage/docs/compounds/2023/11/87367ea0-85af-11ee-8a7d-755d4750e17e.jpg "2D Structure of (10R)-5-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaene-4,17-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 | 98.92% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 96.19% | 93.40% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 95.96% | 91.49% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 92.15% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.14% | 91.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.93% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.89% | 95.89% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.57% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.97% | 91.11% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 87.72% | 91.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.07% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 86.99% | 92.94% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.92% | 93.99% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 86.59% | 90.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.39% | 89.62% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 85.66% | 96.76% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.28% | 95.78% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.58% | 90.00% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 84.55% | 93.65% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 81.11% | 91.96% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 80.64% | 86.33% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.15% | 95.53% |
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.
| Sarcocapnos baetica |
| Sarcocapnos crassifolia |
| PubChem | 5459051 |
| LOTUS | LTS0095737 |
| wikiData | Q104251727 |