(12R)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene-13-carbaldehyde
| Internal ID | ace6eea1-575c-4387-b20c-af493a0f2141 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | (12R)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene-13-carbaldehyde |
| SMILES (Canonical) | COC1=C(C2=C3C(CC4=CC5=C(C=C42)OCO5)N(CCC3=C1)C=O)OC |
| SMILES (Isomeric) | COC1=C(C2=C3[C@@H](CC4=CC5=C(C=C42)OCO5)N(CCC3=C1)C=O)OC |
| InChI | InChI=1S/C20H19NO5/c1-23-17-6-11-3-4-21(9-22)14-5-12-7-15-16(26-10-25-15)8-13(12)19(18(11)14)20(17)24-2/h6-9,14H,3-5,10H2,1-2H3/t14-/m1/s1 |
| InChI Key | VYUJQWBAAMYCTH-CQSZACIVSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C20H19NO5 |
| Molecular Weight | 353.40 g/mol |
| Exact Mass | 353.12632271 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 2.70 |
| There are no found synonyms. |
![2D Structure of (12R)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene-13-carbaldehyde](https://plantaedb.com/storage/docs/compounds/2023/11/8ebf3a60-868d-11ee-a14e-07b114f75790.jpg "2D Structure of (12R)-18,19-dimethoxy-5,7-dioxa-13-azapentacyclo[10.7.1.02,10.04,8.016,20]icosa-1(20),2,4(8),9,16,18-hexaene-13-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 |
|---|---|---|---|---|
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 98.56% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 97.28% | 96.09% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 93.82% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 91.15% | 86.33% |
| CHEMBL2581 | P07339 | Cathepsin D | 90.98% | 98.95% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 90.77% | 91.11% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 89.95% | 82.67% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 89.88% | 89.00% |
| CHEMBL4247 | Q9UM73 | ALK tyrosine kinase receptor | 89.74% | 96.86% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 89.47% | 93.40% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 89.25% | 94.45% |
| CHEMBL2069156 | Q14145 | Kelch-like ECH-associated protein 1 | 89.20% | 82.38% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 87.42% | 92.62% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 87.38% | 99.17% |
| CHEMBL1966 | Q02127 | Dihydroorotate dehydrogenase | 86.79% | 96.09% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 85.88% | 90.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 85.35% | 88.48% |
| CHEMBL5747 | Q92793 | CREB-binding protein | 85.15% | 95.12% |
| CHEMBL1994 | P08235 | Mineralocorticoid receptor | 84.99% | 100.00% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 84.78% | 95.89% |
| CHEMBL225 | P28335 | Serotonin 2c (5-HT2c) receptor | 84.69% | 89.62% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 81.69% | 91.00% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.68% | 95.89% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 81.08% | 95.62% |
| CHEMBL4478 | Q00975 | Voltage-gated N-type calcium channel alpha-1B subunit | 81.00% | 97.14% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 80.64% | 89.50% |
| CHEMBL5925 | P22413 | Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 | 80.11% | 92.38% |
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.
| Lindera glauca |
| PubChem | 163186970 |
| LOTUS | LTS0098414 |
| wikiData | Q105299498 |