(17S)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,13,15-pentaene
| Internal ID | 413a43e0-93ef-49e1-8101-fce5b8b2e62d |
| Taxonomy | Alkaloids and derivatives > Erythrina alkaloids > Homoerythrinane alkaloids |
| IUPAC Name | (17S)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,13,15-pentaene |
| SMILES (Canonical) | COC1CC23C(=CCN2CCCC4=CC(=C(C=C34)OC)OC)C=C1 |
| SMILES (Isomeric) | CO[C@H]1CC23C(=CCN2CCCC4=CC(=C(C=C34)OC)OC)C=C1 |
| InChI | InChI=1S/C20H25NO3/c1-22-16-7-6-15-8-10-21-9-4-5-14-11-18(23-2)19(24-3)12-17(14)20(15,21)13-16/h6-8,11-12,16H,4-5,9-10,13H2,1-3H3/t16-,20?/m1/s1 |
| InChI Key | FCYJGRFDMUVIHS-QRIPLOBPSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H25NO3 |
| Molecular Weight | 327.40 g/mol |
| Exact Mass | 327.18344366 g/mol |
| Topological Polar Surface Area (TPSA) | 30.90 Ų |
| XlogP | 2.50 |
| There are no found synonyms. |
![2D Structure of (17S)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,13,15-pentaene](https://plantaedb.com/storage/docs/compounds/2023/07/17s-4517-trimethoxy-11-azatetracyclo9700114027octadeca-2461315-pentaene.jpg "2D Structure of (17S)-4,5,17-trimethoxy-11-azatetracyclo[9.7.0.01,14.02,7]octadeca-2,4,6,13,15-pentaene")
| 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 | 98.12% | 96.09% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 96.35% | 92.94% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 90.47% | 85.14% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 90.40% | 95.89% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.99% | 94.45% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 88.62% | 89.62% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 88.13% | 86.33% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.45% | 93.99% |
| CHEMBL2581 | P07339 | Cathepsin D | 87.13% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 86.33% | 95.56% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.26% | 91.03% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 84.63% | 95.12% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.85% | 94.00% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 83.80% | 90.00% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 83.16% | 92.38% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 83.02% | 97.14% |
| CHEMBL6031 | Q9H9B1 | Histone-lysine N-methyltransferase, H3 lysine-9 specific 5 | 82.87% | 94.33% |
| CHEMBL2535 | P11166 | Glucose transporter | 82.37% | 98.75% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 82.31% | 90.24% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 81.82% | 82.67% |
| CHEMBL2007 | P16234 | Platelet-derived growth factor receptor alpha | 80.85% | 91.07% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 80.81% | 82.38% |
| CHEMBL1938212 | Q9UPP1 | Histone lysine demethylase PHF8 | 80.34% | 98.33% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 80.20% | 91.11% |
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.
| Cephalotaxus fortunei |
| Forsythia suspensa |