(1S,10S)-5-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one
| Internal ID | 47679cbe-afee-499f-b795-8fd5fb70c212 |
| Taxonomy | Alkaloids and derivatives > Hasubanan alkaloids |
| IUPAC Name | (1S,10S)-5-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one |
| SMILES (Canonical) | CN1CCC23C1(CCC4=CC(=C(C=C42)OC)O)C(=C(C(=O)C3)OC)OC |
| SMILES (Isomeric) | CN1CC[C@@]23[C@@]1(CCC4=CC(=C(C=C42)OC)O)C(=C(C(=O)C3)OC)OC |
| InChI | InChI=1S/C20H25NO5/c1-21-8-7-19-11-15(23)17(25-3)18(26-4)20(19,21)6-5-12-9-14(22)16(24-2)10-13(12)19/h9-10,22H,5-8,11H2,1-4H3/t19-,20+/m0/s1 |
| InChI Key | HTOHHJTUVLJPIE-VQTJNVASSA-N |
| Popularity | 0 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 |
| There are no found synonyms. |
![2D Structure of (1S,10S)-5-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one](https://plantaedb.com/storage/docs/compounds/2023/11/da2b4600-83d2-11ee-b8be-75d3ee7d4c5e.jpg "2D Structure of (1S,10S)-5-hydroxy-4,11,12-trimethoxy-17-methyl-17-azatetracyclo[8.4.3.01,10.02,7]heptadeca-2,4,6,11-tetraen-13-one")
| 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 | 98.11% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.23% | 95.56% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.73% | 91.11% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.25% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.15% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 94.58% | 98.95% |
| CHEMBL1937 | Q92769 | Histone deacetylase 2 | 94.27% | 94.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.22% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 88.70% | 93.99% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 87.48% | 82.38% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.47% | 95.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 86.67% | 91.00% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 86.46% | 91.07% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.27% | 98.75% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 84.67% | 99.23% |
| CHEMBL1907600 | Q00535 | Cyclin-dependent kinase 5/CDK5 activator 1 | 84.48% | 93.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.67% | 90.00% |
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 longa |
| PubChem | 10713476 |
| LOTUS | LTS0214811 |
| wikiData | Q105033544 |