(1S,9S)-5,12,13-trimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-4-ol
| Internal ID | 2901b6a0-d24d-46b8-91d3-7bea896f9445 |
| Taxonomy | Alkaloids and derivatives > Pavine alkaloids |
| IUPAC Name | (1S,9S)-5,12,13-trimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-4-ol |
| SMILES (Canonical) | CN1C2CC3=CC(=C(C=C3C1CC4=CC(=C(C=C24)O)OC)OC)OC |
| SMILES (Isomeric) | CN1[C@H]2CC3=CC(=C(C=C3[C@@H]1CC4=CC(=C(C=C24)O)OC)OC)OC |
| InChI | InChI=1S/C20H23NO4/c1-21-15-6-12-8-19(24-3)20(25-4)10-14(12)16(21)5-11-7-18(23-2)17(22)9-13(11)15/h7-10,15-16,22H,5-6H2,1-4H3/t15-,16-/m0/s1 |
| InChI Key | ZQCGNPNWSMJDEF-HOTGVXAUSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C20H23NO4 |
| Molecular Weight | 341.40 g/mol |
| Exact Mass | 341.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 51.20 Ų |
| XlogP | 2.90 |
| There are no found synonyms. |
![2D Structure of (1S,9S)-5,12,13-trimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-4-ol](https://plantaedb.com/storage/docs/compounds/2023/11/37356e90-8514-11ee-ad98-3d1bdc25605f.jpg "2D Structure of (1S,9S)-5,12,13-trimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-4-ol")
| 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 | 98.87% | 96.09% |
| CHEMBL2581 | P07339 | Cathepsin D | 95.10% | 98.95% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 94.57% | 89.62% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.98% | 95.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 93.30% | 85.14% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 90.90% | 91.79% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.65% | 91.11% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.68% | 95.56% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.09% | 95.89% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 86.48% | 88.48% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.80% | 86.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 85.76% | 98.75% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.74% | 92.94% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 84.94% | 99.17% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.89% | 91.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 83.40% | 95.89% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 82.65% | 93.99% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 82.48% | 91.03% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.48% | 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.
| Argemone brevicornuta |
| Argemone hispida |
| Argemone munita subsp. rotundata |
| Argemone polyanthemos |
| Cryptocarya longifolia |
| Cyclea atjehensis |
| Thalictrum dasycarpum |
| Xylopia parviflora |
| PubChem | 10882393 |
| LOTUS | LTS0203892 |
| wikiData | Q105381391 |