3,16,20-Trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaene-17-carbaldehyde
| Internal ID | f317cd4d-77f6-428a-b3bf-d9fcec96490d |
| Taxonomy | Alkaloids and derivatives > Macroline alkaloids |
| IUPAC Name | 3,16,20-trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaene-17-carbaldehyde |
| SMILES (Canonical) | CC1=C(C2CC3C4=C(CC(C2CO1)N3C)C5=CC=CC=C5N4C)C=O |
| SMILES (Isomeric) | CC1=C(C2CC3C4=C(CC(C2CO1)N3C)C5=CC=CC=C5N4C)C=O |
| InChI | InChI=1S/C21H24N2O2/c1-12-16(10-24)14-8-20-21-15(9-19(22(20)2)17(14)11-25-12)13-6-4-5-7-18(13)23(21)3/h4-7,10,14,17,19-20H,8-9,11H2,1-3H3 |
| InChI Key | AUSQYXZCCIDHMV-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H24N2O2 |
| Molecular Weight | 336.40 g/mol |
| Exact Mass | 336.183778013 g/mol |
| Topological Polar Surface Area (TPSA) | 34.50 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of 3,16,20-Trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaene-17-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/520b52f0-85f9-11ee-ab16-330cc10ac255.jpg "2D Structure of 3,16,20-Trimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4,6,8,16-pentaene-17-carbaldehyde")
| 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 | 98.89% | 95.56% |
| CHEMBL2265 | P23141 | Acyl coenzyme A:cholesterol acyltransferase | 96.47% | 85.94% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 94.52% | 89.00% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 94.45% | 91.49% |
| CHEMBL2581 | P07339 | Cathepsin D | 93.07% | 98.95% |
| CHEMBL1899 | P46098 | Serotonin 3a (5-HT3a) receptor | 92.50% | 100.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 87.62% | 96.09% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.23% | 86.33% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 84.52% | 100.00% |
| CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 83.96% | 99.23% |
| CHEMBL5805 | Q9NR97 | Toll-like receptor 8 | 83.74% | 96.25% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 82.66% | 85.14% |
| CHEMBL5409 | Q8TDU6 | G-protein coupled bile acid receptor 1 | 82.21% | 93.65% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 81.93% | 91.11% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 81.76% | 96.67% |
| CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 80.41% | 90.08% |
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.
| Alstonia angustifolia |
| Alstonia macrophylla |
| PubChem | 78157922 |
| LOTUS | LTS0161020 |
| wikiData | Q104919114 |