Hasubanonine, O4-demethyl-
| Internal ID | ae394ff8-f47c-4c3a-aff2-5ec2835f43fd |
| Taxonomy | Alkaloids and derivatives > Hasubanan alkaloids |
| IUPAC Name | 3-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2(7),3,5,11-tetraen-13-one |
| SMILES (Canonical) | CN1CCC23C1(CCC4=C2C(=C(C=C4)OC)O)C(=C(C(=O)C3)OC)OC |
| SMILES (Isomeric) | CN1CCC23C1(CCC4=C2C(=C(C=C4)OC)O)C(=C(C(=O)C3)OC)OC |
| InChI | InChI=1S/C20H25NO5/c1-21-10-9-19-11-13(22)17(25-3)18(26-4)20(19,21)8-7-12-5-6-14(24-2)16(23)15(12)19/h5-6,23H,7-11H2,1-4H3 |
| InChI Key | XLWYWPDYNLZUJS-UHFFFAOYSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C20H25NO5 |
| Molecular Weight | 359.40 g/mol |
| Exact Mass | 359.17327290 g/mol |
| Topological Polar Surface Area (TPSA) | 68.20 Ų |
| XlogP | 1.70 |
| Hasubanonine, O4-demethyl- |
| NSC-135030 |
| SCHEMBL8213521 |
| DTXSID00946979 |
| NSC135030 |
| 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 | 98.32% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.95% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.57% | 98.95% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 93.25% | 86.33% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.16% | 94.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 91.13% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.37% | 94.45% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 90.34% | 94.75% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 89.52% | 91.00% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 88.57% | 93.40% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 87.27% | 99.23% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.84% | 82.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.29% | 98.75% |
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.
| Stephania elegans |
| Stephania japonica |
| Stephania sutchuenensis |
| PubChem | 281986 |
| LOTUS | LTS0080829 |
| wikiData | Q82924728 |