(1S,12S,13R,18R)-6-methoxy-16,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaene-17-carbaldehyde
| Internal ID | b809a185-69b4-4881-a6a6-d752adad368b |
| Taxonomy | Alkaloids and derivatives > Macroline alkaloids |
| IUPAC Name | (1S,12S,13R,18R)-6-methoxy-16,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaene-17-carbaldehyde |
| SMILES (Canonical) | |
| SMILES (Isomeric) | |
| InChI | InChI=1S/C21H24N2O3/c1-11-16(9-24)14-7-20-21-15(8-19(23(20)2)17(14)10-26-11)13-5-4-12(25-3)6-18(13)22-21/h4-6,9,14,17,19-20,22H,7-8,10H2,1-3H3/t14-,17+,19-,20-/m0/s1 |
| InChI Key | ONBPJDNLJKBJSV-KTGNWYGMSA-N |
| Popularity | 2 references in papers |
| Molecular Formula | C21H24N2O3 |
| Molecular Weight | 352.40 g/mol |
| Exact Mass | 352.17869263 g/mol |
| Topological Polar Surface Area (TPSA) | 54.60 Ų |
| XlogP | 2.30 |
| There are no found synonyms. |
![2D Structure of (1S,12S,13R,18R)-6-methoxy-16,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-pentaene-17-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/63baf310-853b-11ee-a909-e7444bf1a250.jpg "2D Structure of (1S,12S,13R,18R)-6-methoxy-16,20-dimethyl-15-oxa-3,20-diazapentacyclo[10.7.1.02,10.04,9.013,18]icosa-2(10),4(9),5,7,16-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 | 98.09% | 95.56% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 97.82% | 94.45% |
| CHEMBL1951 | P21397 | Monoamine oxidase A | 97.15% | 91.49% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 96.57% | 96.09% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.35% | 93.40% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 94.27% | 97.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 93.31% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 92.17% | 98.95% |
| CHEMBL2535 | P11166 | Glucose transporter | 90.90% | 98.75% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 88.69% | 94.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 87.69% | 93.99% |
| CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 87.08% | 100.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.97% | 95.89% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 85.70% | 89.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 85.14% | 86.33% |
| CHEMBL1907 | P15144 | Aminopeptidase N | 85.04% | 93.31% |
| CHEMBL4016 | P42262 | Glutamate receptor ionotropic, AMPA 2 | 84.41% | 86.92% |
| CHEMBL4073 | P09237 | Matrix metalloproteinase 7 | 84.04% | 97.56% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 83.75% | 96.77% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 82.91% | 89.62% |
| CHEMBL2717 | Q9HCR9 | Phosphodiesterase 11A | 81.66% | 85.00% |
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 macrophylla |
| PubChem | 101725656 |
| LOTUS | LTS0072100 |
| wikiData | Q105194582 |