Corcovadine
| Internal ID | 69307fc3-e6b2-421e-b037-d9105fbd9a0f |
| Taxonomy | Organoheterocyclic compounds > Benzodioxoles |
| IUPAC Name | [1-[[(2E,4E)-5-(1,3-benzodioxol-5-yl)penta-2,4-dienoyl]amino]-2-methylpropan-2-yl] acetate |
| SMILES (Canonical) | CC(=O)OC(C)(C)CNC(=O)C=CC=CC1=CC2=C(C=C1)OCO2 |
| SMILES (Isomeric) | CC(=O)OC(C)(C)CNC(=O)/C=C/C=C/C1=CC2=C(C=C1)OCO2 |
| InChI | InChI=1S/C18H21NO5/c1-13(20)24-18(2,3)11-19-17(21)7-5-4-6-14-8-9-15-16(10-14)23-12-22-15/h4-10H,11-12H2,1-3H3,(H,19,21)/b6-4+,7-5+ |
| InChI Key | QGDBWUXDIODTEX-YDFGWWAZSA-N |
| Popularity | 1 reference in papers |
| Molecular Formula | C18H21NO5 |
| Molecular Weight | 331.40 g/mol |
| Exact Mass | 331.14197277 g/mol |
| Topological Polar Surface Area (TPSA) | 73.90 Ų |
| XlogP | 2.60 |
| CHEMBL254177 |
| 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 |
|---|---|---|---|---|
| CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 98.74% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 97.18% | 98.95% |
| CHEMBL2039 | P27338 | Monoamine oxidase B | 95.93% | 92.51% |
| CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 95.72% | 94.80% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.01% | 86.33% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 94.08% | 96.77% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 93.73% | 96.09% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 92.74% | 96.00% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 92.21% | 94.73% |
| CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 91.98% | 94.45% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 91.65% | 89.00% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 89.66% | 99.17% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 87.64% | 95.56% |
| CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 85.21% | 80.96% |
| CHEMBL1293267 | Q9HC97 | G-protein coupled receptor 35 | 84.00% | 89.34% |
| CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 83.80% | 81.29% |
| CHEMBL2413 | P32246 | C-C chemokine receptor type 1 | 83.04% | 89.50% |
| CHEMBL3145 | P42338 | PI3-kinase p110-beta subunit | 80.69% | 98.75% |
| CHEMBL5028 | O14672 | ADAM10 | 80.61% | 97.50% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 80.42% | 90.00% |
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.
| Piper corcovadense |
| Piper scutifolium |
| PubChem | 44445528 |
| LOTUS | LTS0186881 |
| wikiData | Q105219950 |