CID 14194066
| Internal ID | 896fd8ae-f1be-4fbd-9974-1deb38c9657d |
| Taxonomy | Alkaloids and derivatives > Cularin alkaloids and derivatives |
| IUPAC Name | (10S)-4,5-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaen-17-ol |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=C(C(=C(C=C4)OC)OC)OC3=C(C=C2)O |
| SMILES (Isomeric) | CN1CCC2=C3[C@@H]1CC4=C(C(=C(C=C4)OC)OC)OC3=C(C=C2)O |
| InChI | InChI=1S/C19H21NO4/c1-20-9-8-11-4-6-14(21)18-16(11)13(20)10-12-5-7-15(22-2)19(23-3)17(12)24-18/h4-7,13,21H,8-10H2,1-3H3/t13-/m0/s1 |
| InChI Key | KMGQDULSBFBCAR-ZDUSSCGKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H21NO4 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.14705815 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 3.00 |
| (10S)-4,5-Dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3(8),4,6,14(18),15-hexaen-17-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 99.01% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 97.19% | 93.40% |
| CHEMBL4040 | P28482 | MAP kinase ERK2 | 96.68% | 83.82% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 95.14% | 95.62% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 94.29% | 96.76% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 92.59% | 91.49% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 91.00% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 90.78% | 95.56% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.70% | 94.00% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 88.18% | 91.11% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.01% | 95.89% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.71% | 95.78% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.41% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 83.78% | 98.95% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 83.58% | 92.94% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.20% | 90.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 82.90% | 90.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.84% | 93.65% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 82.33% | 91.79% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.06% | 85.14% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 81.93% | 86.33% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.66% | 95.53% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 80.12% | 91.96% |
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 |
| Sarcocapnos enneaphylla |
| PubChem | 14194066 |
| LOTUS | LTS0080437 |
| wikiData | Q105142971 |