10,11-Dimethoxy-6'-oxospiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,3'-cyclohexa-1,4-diene]-5-carbaldehyde
| Internal ID | 0b5c31e6-67ac-4821-bfc9-da07ef8fb963 |
| Taxonomy | Alkaloids and derivatives > Proaporphines |
| IUPAC Name | 10,11-dimethoxy-6'-oxospiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,3'-cyclohexa-1,4-diene]-5-carbaldehyde |
| SMILES (Canonical) | COC1=C(C2=C3C(CC24C=CC(=O)C=C4)N(CCC3=C1)C=O)OC |
| SMILES (Isomeric) | COC1=C(C2=C3C(CC24C=CC(=O)C=C4)N(CCC3=C1)C=O)OC |
| InChI | InChI=1S/C19H19NO4/c1-23-15-9-12-5-8-20(11-21)14-10-19(6-3-13(22)4-7-19)17(16(12)14)18(15)24-2/h3-4,6-7,9,11,14H,5,8,10H2,1-2H3 |
| InChI Key | ZRWKJCKLHBPSBY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C19H19NO4 |
| Molecular Weight | 325.40 g/mol |
| Exact Mass | 325.13140809 g/mol |
| Topological Polar Surface Area (TPSA) | 55.80 Ų |
| XlogP | 2.00 |
| There are no found synonyms. |
![2D Structure of 10,11-Dimethoxy-6'-oxospiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,3'-cyclohexa-1,4-diene]-5-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/096a52e0-859f-11ee-8d9a-c9a937996e4b.jpg "2D Structure of 10,11-Dimethoxy-6'-oxospiro[5-azatricyclo[6.3.1.04,12]dodeca-1(12),8,10-triene-2,3'-cyclohexa-1,4-diene]-5-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 |
|---|---|---|---|---|
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.12% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 96.35% | 95.56% |
| CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 95.89% | 85.14% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 95.46% | 93.40% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 92.13% | 86.33% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 90.25% | 94.45% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 89.89% | 91.11% |
| CHEMBL4302 | P08183 | P-glycoprotein 1 | 89.03% | 92.98% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 88.32% | 91.03% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 87.78% | 95.62% |
| CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 87.43% | 100.00% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 86.02% | 100.00% |
| CHEMBL241 | Q14432 | Phosphodiesterase 3A | 85.63% | 92.94% |
| CHEMBL1871 | P10275 | Androgen Receptor | 83.66% | 96.43% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 83.58% | 91.00% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 83.56% | 82.38% |
| CHEMBL2535 | P11166 | Glucose transporter | 83.20% | 98.75% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 83.12% | 95.89% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 82.71% | 97.14% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 82.07% | 90.00% |
| CHEMBL2781 | P19634 | Sodium/hydrogen exchanger 1 | 81.69% | 90.24% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 81.57% | 92.38% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 81.38% | 95.89% |
| CHEMBL2581 | P07339 | Cathepsin D | 80.93% | 98.95% |
| CHEMBL4306 | P22460 | Voltage-gated potassium channel subunit Kv1.5 | 80.65% | 94.03% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.29% | 90.71% |
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.
| Caryomene olivascens |
| PubChem | 74037066 |
| LOTUS | LTS0156047 |
| wikiData | Q105382287 |