(6As)-1,2,10,11,12-pentamethoxy-6-methyl-4,5,6,6a,7,8-hexahydrobenzo[6,7]cyclohepta[1,2,3-ij]isoquinoline
| Internal ID | c82f6ef7-16f3-46e7-acd9-8d4d6211d613 |
| Taxonomy | Alkaloids and derivatives > Homoaporphines |
| IUPAC Name | (10S)-3,4,5,16,17-pentamethoxy-11-methyl-11-azatetracyclo[8.7.1.02,7.014,18]octadeca-1(18),2,4,6,14,16-hexaene |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C2C1CCC4=CC(=C(C(=C43)OC)OC)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C2[C@@H]1CCC4=CC(=C(C(=C43)OC)OC)OC)OC)OC |
| InChI | InChI=1S/C23H29NO5/c1-24-10-9-14-12-16(25-2)21(27-4)20-18(14)15(24)8-7-13-11-17(26-3)22(28-5)23(29-6)19(13)20/h11-12,15H,7-10H2,1-6H3/t15-/m0/s1 |
| InChI Key | VIZHHLWKNPFRJY-HNNXBMFYSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C23H29NO5 |
| Molecular Weight | 399.50 g/mol |
| Exact Mass | 399.20457303 g/mol |
| Topological Polar Surface Area (TPSA) | 49.40 Ų |
| XlogP | 3.70 |
| There are no found synonyms. |
![2D Structure of (6As)-1,2,10,11,12-pentamethoxy-6-methyl-4,5,6,6a,7,8-hexahydrobenzo[6,7]cyclohepta[1,2,3-ij]isoquinoline](https://plantaedb.com/storage/docs/compounds/2023/11/e243f280-882a-11ee-9992-2fcf74a6de44.jpg "2D Structure of (6As)-1,2,10,11,12-pentamethoxy-6-methyl-4,5,6,6a,7,8-hexahydrobenzo[6,7]cyclohepta[1,2,3-ij]isoquinoline")
| 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 | 98.70% | 96.09% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 93.95% | 95.62% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 93.72% | 93.99% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 90.94% | 96.86% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 89.76% | 95.89% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 89.51% | 91.03% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 89.42% | 85.14% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 89.08% | 91.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 89.02% | 95.56% |
| CHEMBL5203 | P33316 | dUTP pyrophosphatase | 88.51% | 99.18% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 87.02% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 86.57% | 95.89% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 86.13% | 95.12% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 85.04% | 96.76% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 84.41% | 92.94% |
| CHEMBL3746 | P80365 | 11-beta-hydroxysteroid dehydrogenase 2 | 82.68% | 94.78% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.12% | 98.75% |
| CHEMBL5339 | Q5NUL3 | G-protein coupled receptor 120 | 82.11% | 95.78% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.80% | 98.95% |
| CHEMBL6031 | Q9H9B1 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 | 81.32% | 94.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 81.19% | 97.09% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.80% | 89.62% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.01% | 89.50% |
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.
| Colchicum szovitsii |
| PubChem | 11258064 |
| LOTUS | LTS0094557 |
| wikiData | Q105287110 |