5-Methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene-6,17-diol
| Internal ID | 5f75e76d-aea8-4a4f-ac3b-6bb11665b844 |
| Taxonomy | Alkaloids and derivatives > Cularin alkaloids and derivatives |
| IUPAC Name | 5-methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene-6,17-diol |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=CC(=C(C=C4OC3=C(C=C2)O)OC)O |
| SMILES (Isomeric) | CN1CCC2=C3C1CC4=CC(=C(C=C4OC3=C(C=C2)O)OC)O |
| InChI | InChI=1S/C18H19NO4/c1-19-6-5-10-3-4-13(20)18-17(10)12(19)7-11-8-14(21)16(22-2)9-15(11)23-18/h3-4,8-9,12,20-21H,5-7H2,1-2H3 |
| InChI Key | NEQWPVBUZDJIHK-UHFFFAOYSA-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 |
| There are no found synonyms. |
![2D Structure of 5-Methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene-6,17-diol](https://plantaedb.com/storage/docs/compounds/2023/11/ba344550-8818-11ee-b767-0bac878a45a5.jpg "2D Structure of 5-Methoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaene-6,17-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 | 99.26% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.16% | 93.40% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 96.50% | 91.11% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.69% | 95.62% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.90% | 95.56% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 92.41% | 93.99% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 92.31% | 91.79% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.56% | 91.00% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.26% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 88.79% | 95.89% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 88.58% | 92.94% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 86.79% | 94.00% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 86.42% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.30% | 98.95% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.30% | 90.00% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 85.17% | 91.03% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.04% | 86.33% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 83.42% | 90.95% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.30% | 93.65% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.80% | 91.49% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 82.64% | 96.76% |
| CHEMBL3820 | P35557 | Hexokinase type IV | 82.02% | 91.96% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.98% | 90.71% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 81.63% | 95.78% |
| CHEMBL2535 | P11166 | Glucose transporter | 81.60% | 98.75% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.47% | 96.86% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.15% | 82.67% |
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 crassifolia |
| PubChem | 14194057 |
| LOTUS | LTS0057250 |
| wikiData | Q105178120 |