(1S)-4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene
| Internal ID | 75c465e3-ae0e-4154-ae2a-7958cc4d8bc3 |
| Taxonomy | Alkaloids and derivatives > Pavine alkaloids |
| IUPAC Name | (1S)-4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene |
| SMILES (Canonical) | CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)OC)OC)OC)OC |
| SMILES (Isomeric) | CN1[C@H]2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)OC)OC)OC)OC |
| InChI | InChI=1S/C21H25NO4/c1-22-16-6-12-8-18(23-2)20(25-4)10-14(12)17(22)7-13-9-19(24-3)21(26-5)11-15(13)16/h8-11,16-17H,6-7H2,1-5H3/t16-,17?/m0/s1 |
| InChI Key | QEOWCPFWLCIQSL-BHWOMJMDSA-N |
| Popularity | 3 references in papers |
| Molecular Formula | C21H25NO4 |
| Molecular Weight | 355.40 g/mol |
| Exact Mass | 355.17835828 g/mol |
| Topological Polar Surface Area (TPSA) | 40.20 Ų |
| XlogP | 3.30 |
| AC1L9CDH |
| CHEMBL486987 |
![2D Structure of (1S)-4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene](https://plantaedb.com/storage/docs/compounds/2023/11/2e746f70-862a-11ee-86b8-999d45b63aba.jpg "2D Structure of (1S)-4,5,12,13-tetramethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaene")
| 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 | 98.49% | 96.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.32% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.56% | 98.95% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 89.09% | 95.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 87.67% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.49% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.27% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 85.05% | 95.56% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.96% | 95.89% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.22% | 98.75% |
| CHEMBL1902 | P62942 | FK506-binding protein 1A | 82.78% | 97.05% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 80.82% | 96.86% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.79% | 99.17% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 80.46% | 93.99% |
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.
| Argemone polyanthemos |
| Thalictrum foetidum |
| Thalictrum minus |
| Thalictrum revolutum |
| Thalictrum simplex |
| PubChem | 44558920 |
| LOTUS | LTS0162707 |
| wikiData | Q104395912 |