1H-(1)Benzoxepino(2,3,4-ij)isoquinolin-6-ol, 2,3,12,12a-tetrahydro-9,10-dimethoxy-1-methyl-, (S)-
| Internal ID | 2c6a9571-9c4b-4890-a291-e9bcfcb0261c |
| Taxonomy | Alkaloids and derivatives > Cularin alkaloids and derivatives |
| IUPAC Name | (10S)-6,17-dimethoxy-11-methyl-2-oxa-11-azatetracyclo[8.7.1.03,8.014,18]octadeca-1(17),3,5,7,14(18),15-hexaen-5-ol |
| SMILES (Canonical) | CN1CCC2=C3C1CC4=CC(=C(C=C4OC3=C(C=C2)OC)O)OC |
| SMILES (Isomeric) | CN1CCC2=C3[C@@H]1CC4=CC(=C(C=C4OC3=C(C=C2)OC)O)OC |
| InChI | InChI=1S/C19H21NO4/c1-20-7-6-11-4-5-15(22-2)19-18(11)13(20)8-12-9-17(23-3)14(21)10-16(12)24-19/h4-5,9-10,13,21H,6-8H2,1-3H3/t13-/m0/s1 |
| InChI Key | UNYBTSUYBZKMFF-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 |
| There are no found synonyms. |
| 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 | 99.25% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 96.15% | 95.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.67% | 93.40% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.50% | 93.99% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 92.76% | 85.14% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 92.48% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 92.30% | 95.56% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 90.22% | 92.94% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 90.01% | 96.76% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 89.75% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.62% | 86.33% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 89.60% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 89.05% | 95.89% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 86.88% | 91.79% |
| CHEMBL2581 | P07339 | Cathepsin D | 86.53% | 98.95% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 85.73% | 90.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 85.62% | 89.62% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 85.55% | 95.78% |
| CHEMBL2535 | P11166 | Glucose transporter | 84.33% | 98.75% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 83.33% | 93.65% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.77% | 91.03% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 82.70% | 91.49% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.60% | 90.00% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 81.74% | 90.71% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.58% | 99.17% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.38% | 96.86% |
| CHEMBL4940 | P07195 | L-lactate dehydrogenase B chain | 80.22% | 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 enneaphylla |
| PubChem | 3083890 |
| LOTUS | LTS0205354 |
| wikiData | Q104251701 |