4,5-Dimethoxy-2-[(4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaen-5-yl)oxy]benzaldehyde
| Internal ID | 68d5bbbe-4ec2-4155-980d-9002315991ca |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | 4,5-dimethoxy-2-[(4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaen-5-yl)oxy]benzaldehyde |
| SMILES (Canonical) | CN1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC5=CC(=C(C=C5C=O)OC)OC)OC)OC)OC |
| SMILES (Isomeric) | CN1CCC2=CC(=C(C3=C4C=C(C(=CC4=CC1=C23)OC5=CC(=C(C=C5C=O)OC)OC)OC)OC)OC |
| InChI | InChI=1S/C29H29NO7/c1-30-8-7-16-10-26(35-5)29(36-6)28-19-13-23(33-3)25(11-17(19)9-20(30)27(16)28)37-21-14-24(34-4)22(32-2)12-18(21)15-31/h9-15H,7-8H2,1-6H3 |
| InChI Key | SJEBJFSMCDJHEZ-UHFFFAOYSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C29H29NO7 |
| Molecular Weight | 503.50 g/mol |
| Exact Mass | 503.19440226 g/mol |
| Topological Polar Surface Area (TPSA) | 75.70 Ų |
| XlogP | 5.40 |
| There are no found synonyms. |
![2D Structure of 4,5-Dimethoxy-2-[(4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaen-5-yl)oxy]benzaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/f5e89540-8458-11ee-a966-534a58579319.jpg "2D Structure of 4,5-Dimethoxy-2-[(4,15,16-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1,3,5,7,9(17),13,15-heptaen-5-yl)oxy]benzaldehyde")
| 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 |
|---|---|---|---|---|
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.00% | 95.56% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 95.17% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 94.38% | 86.33% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 92.54% | 90.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 92.36% | 92.94% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 91.88% | 95.62% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 91.67% | 94.00% |
| CHEMBL1163101 | O75460 | Serine/threonine-protein kinase/endoribonuclease IRE1 | 90.86% | 98.11% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 90.58% | 92.98% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 90.31% | 91.00% |
| CHEMBL4895 | P30530 | Tyrosine-protein kinase receptor UFO | 87.65% | 90.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 86.79% | 91.11% |
| CHEMBL2535 | P11166 | Glucose transporter | 86.47% | 98.75% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 85.66% | 95.12% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 83.51% | 92.38% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 82.04% | 99.17% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 81.98% | 89.62% |
| CHEMBL2581 | P07339 | Cathepsin D | 81.40% | 98.95% |
| CHEMBL214 | P08908 | Serotonin 1a (5-HT1a) receptor | 80.93% | 92.83% |
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.
| Hernandia nymphaeifolia |
| Hernandia sonora |
| PubChem | 15765197 |
| LOTUS | LTS0043044 |
| wikiData | Q105254242 |