Hasubanonine
| Internal ID | 46d307d9-24da-469e-bbeb-94c9b9cb92f6 |
| Taxonomy | Alkaloids and derivatives > Hasubanan alkaloids |
| IUPAC Name | (1S,10S)-3,4,11,12-tetramethoxy-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)OC)C(=C(C(=O)C3)OC)OC |
| SMILES (Isomeric) | CN1CC[C@@]23[C@@]1(CCC4=C2C(=C(C=C4)OC)OC)C(=C(C(=O)C3)OC)OC |
| InChI | InChI=1S/C21H27NO5/c1-22-11-10-20-12-14(23)17(25-3)19(27-5)21(20,22)9-8-13-6-7-15(24-2)18(26-4)16(13)20/h6-7H,8-12H2,1-5H3/t20-,21+/m0/s1 |
| InChI Key | DXUSNRCTWFHYFS-LEWJYISDSA-N |
| Popularity | 7 references in papers |
| Molecular Formula | C21H27NO5 |
| Molecular Weight | 373.40 g/mol |
| Exact Mass | 373.18892296 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 2.10 |
| 1805-85-2 |
| hasbanonine |
| UNII-9TLC4WA6XC |
| 9TLC4WA6XC |
| (-)-Hasubanonine |
| MLS002473203 |
| CHEBI:5629 |
| Hasubanan-6-one, 7,8-didehydro-3,4,7,8-tetramethoxy-17-methyl- |
| 7,8-Didehydro-3,4,7,8-tetramethoxy-17-methylhasubanan-6-one |
| AC1L9CHH |
| There are more than 10 synonyms. If you wish to see them all click here. |
| 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 | 97.20% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.67% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.09% | 86.33% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 93.10% | 93.40% |
| CHEMBL2581 | P07339 | Cathepsin D | 91.81% | 98.95% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.67% | 94.00% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 88.41% | 94.75% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.44% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.37% | 95.89% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 84.01% | 82.38% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.43% | 99.23% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.07% | 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.
| Stephania elegans |
| Stephania japonica |
| PubChem | 442246 |
| LOTUS | LTS0084610 |
| wikiData | Q5680713 |