Romucosine D
| Internal ID | 4542f3f3-7c17-4ac4-a785-6a9634342ac8 |
| Taxonomy | Alkaloids and derivatives > Aporphines |
| IUPAC Name | methyl 1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline-6-carboxylate |
| SMILES (Canonical) | COC1=CC2=C(CC3C4=C2C(=C(C=C4CCN3C(=O)OC)OC)OC)C=C1 |
| SMILES (Isomeric) | COC1=CC2=C(CC3C4=C2C(=C(C=C4CCN3C(=O)OC)OC)OC)C=C1 |
| InChI | InChI=1S/C21H23NO5/c1-24-14-6-5-12-9-16-18-13(7-8-22(16)21(23)27-4)10-17(25-2)20(26-3)19(18)15(12)11-14/h5-6,10-11,16H,7-9H2,1-4H3 |
| InChI Key | GIUSYZFFMYWEAY-UHFFFAOYSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C21H23NO5 |
| Molecular Weight | 369.40 g/mol |
| Exact Mass | 369.15762283 g/mol |
| Topological Polar Surface Area (TPSA) | 57.20 Ų |
| XlogP | 3.30 |
| (+)-Romucosine D |
| 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 | 99.35% | 96.09% |
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 95.11% | 91.11% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 94.69% | 90.00% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 94.35% | 95.56% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 92.50% | 99.17% |
| CHEMBL2535 | P11166 | Glucose transporter | 91.24% | 98.75% |
| CHEMBL2041 | P07949 | Tyrosine-protein kinase receptor RET | 89.40% | 91.79% |
| CHEMBL2056 | P21728 | Dopamine D1 receptor | 89.03% | 91.00% |
| CHEMBL2581 | P07339 | Cathepsin D | 88.93% | 98.95% |
| CHEMBL1907603 | Q05586 | Glutamate NMDA receptor; GRIN1/GRIN2B | 88.05% | 95.89% |
| CHEMBL261 | P00915 | Carbonic anhydrase I | 87.63% | 96.76% |
| CHEMBL340 | P08684 | Cytochrome P450 3A4 | 86.58% | 91.19% |
| CHEMBL5469 | Q14289 | Protein tyrosine kinase 2 beta | 86.21% | 91.03% |
| CHEMBL217 | P14416 | Dopamine D2 receptor | 86.17% | 95.62% |
| CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 85.80% | 93.40% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 84.74% | 95.89% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 83.99% | 94.00% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 82.96% | 86.33% |
| CHEMBL3137262 | O60341 | LSD1/CoREST complex | 82.35% | 97.09% |
| CHEMBL3437 | Q16853 | Amine oxidase, copper containing | 81.92% | 94.00% |
| CHEMBL3438 | Q05513 | Protein kinase C zeta | 81.29% | 88.48% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 81.20% | 92.62% |
| CHEMBL5845 | P23415 | Glycine receptor subunit alpha-1 | 80.07% | 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.
| Annona mucosa |
| PubChem | 85102142 |
| LOTUS | LTS0128225 |
| wikiData | Q105009228 |