(4-Hydroxy-5-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-12-yl) acetate
| Internal ID | 9f674043-daa9-4e00-b54a-901ca34fe9e2 |
| Taxonomy | Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives |
| IUPAC Name | (4-hydroxy-5-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-12-yl) acetate |
| SMILES (Canonical) | CC(=O)OC1CCC23CCN(C2C1)CC4=CC(=C(C=C34)O)OC |
| SMILES (Isomeric) | CC(=O)OC1CCC23CCN(C2C1)CC4=CC(=C(C=C34)O)OC |
| InChI | InChI=1S/C18H23NO4/c1-11(20)23-13-3-4-18-5-6-19(17(18)8-13)10-12-7-16(22-2)15(21)9-14(12)18/h7,9,13,17,21H,3-6,8,10H2,1-2H3 |
| InChI Key | VXYCUCAHNRPUDI-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C18H23NO4 |
| Molecular Weight | 317.40 g/mol |
| Exact Mass | 317.16270821 g/mol |
| Topological Polar Surface Area (TPSA) | 59.00 Ų |
| XlogP | 2.20 |
| There are no found synonyms. |
![2D Structure of (4-Hydroxy-5-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-12-yl) acetate](https://plantaedb.com/storage/docs/compounds/2023/11/4-hydroxy-5-methoxy-9-azatetracyclo7520110027hexadeca-246-trien-12-yl-acetate.jpg "2D Structure of (4-Hydroxy-5-methoxy-9-azatetracyclo[7.5.2.01,10.02,7]hexadeca-2,4,6-trien-12-yl) acetate")
| 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 | 99.13% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.65% | 91.11% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 94.02% | 92.94% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 92.45% | 91.03% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 92.33% | 91.19% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 92.22% | 94.45% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 90.40% | 95.62% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.09% | 85.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 87.96% | 90.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 87.51% | 95.89% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 87.45% | 95.89% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 86.53% | 86.33% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.48% | 95.56% |
| CHEMBL2581 | P07339 | Cathepsin D | 85.86% | 98.95% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.71% | 89.00% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 82.26% | 94.00% |
| CHEMBL3474 | P14555 | Phospholipase A2 group IIA | 81.94% | 94.05% |
| CHEMBL5028 | O14672 | ADAM10 | 81.28% | 97.50% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 80.90% | 91.79% |
| CHEMBL3351 | Q13085 | Acetyl-CoA carboxylase 1 | 80.72% | 93.04% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 80.50% | 89.62% |
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.
| Narcissus cantabricus |
| PubChem | 163074467 |
| LOTUS | LTS0239725 |
| wikiData | Q105298833 |