(10S,13R)-5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaene-4,13-diol
| Internal ID | 1ebca350-41dc-40e6-8fe4-ccd2aea8cc65 |
| Taxonomy | Alkaloids and derivatives > Cularin alkaloids and derivatives |
| IUPAC Name | (10S,13R)-5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaene-4,13-diol |
| SMILES (Canonical) | CN1CC(C2=C3C1CC4=C(C(=C(C=C4)OC)O)OC3=C(C=C2)OC)O |
| SMILES (Isomeric) | CN1C[C@@H](C2=C3[C@@H]1CC4=C(C(=C(C=C4)OC)O)OC3=C(C=C2)OC)O |
| InChI | InChI=1S/C19H21NO5/c1-20-9-13(21)11-5-7-15(24-3)19-16(11)12(20)8-10-4-6-14(23-2)17(22)18(10)25-19/h4-7,12-13,21-22H,8-9H2,1-3H3/t12-,13-/m0/s1 |
| InChI Key | QGELJPMINSCRPX-STQMWFEESA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C19H21NO5 |
| Molecular Weight | 343.40 g/mol |
| Exact Mass | 343.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 71.40 Ų |
| XlogP | 1.90 |
| There are no found synonyms. |
![2D Structure of (10S,13R)-5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaene-4,13-diol](https://plantaedb.com/storage/docs/compounds/2023/11/31a68140-853e-11ee-bffc-5943e09b4df0.jpg "2D Structure of (10S,13R)-5,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaene-4,13-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 | 98.89% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 92.42% | 95.62% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.15% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.55% | 98.95% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 90.38% | 93.99% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.12% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 87.59% | 89.62% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.28% | 91.79% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 86.09% | 90.71% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.06% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 85.72% | 94.45% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 84.17% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 82.54% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.07% | 99.17% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 81.83% | 92.94% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 80.09% | 93.31% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 80.04% | 91.00% |
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.
| Sarcocapnos baetica |
| PubChem | 15690612 |
| LOTUS | LTS0050608 |
| wikiData | Q105219976 |