Microcarpine
| Internal ID | 06ab4f5f-c048-4d95-ae17-036e9da11dff |
| Taxonomy | Organoheterocyclic compounds > Isocoumarans > Isobenzofuranones |
| IUPAC Name | (3E)-3-[[6-[2-(dimethylamino)ethyl]-4-hydroxy-1,3-benzodioxol-5-yl]methylidene]-6,7-dimethoxy-2-benzofuran-1-one |
| SMILES (Canonical) | CN(C)CCC1=CC2=C(C(=C1C=C3C4=C(C(=C(C=C4)OC)OC)C(=O)O3)O)OCO2 |
| SMILES (Isomeric) | CN(C)CCC1=CC2=C(C(=C1/C=C/3\C4=C(C(=C(C=C4)OC)OC)C(=O)O3)O)OCO2 |
| InChI | InChI=1S/C22H23NO7/c1-23(2)8-7-12-9-17-21(29-11-28-17)19(24)14(12)10-16-13-5-6-15(26-3)20(27-4)18(13)22(25)30-16/h5-6,9-10,24H,7-8,11H2,1-4H3/b16-10+ |
| InChI Key | JUQYFQUYIWWESV-MHWRWJLKSA-N |
| Popularity | 0 references in papers |
| Molecular Formula | C22H23NO7 |
| Molecular Weight | 413.40 g/mol |
| Exact Mass | 413.14745207 g/mol |
| Topological Polar Surface Area (TPSA) | 86.70 Ų |
| XlogP | 3.20 |
| NSC381834 |
| NSC-381834 |
| 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 | 98.66% | 91.11% |
| CHEMBL2581 | P07339 | Cathepsin D | 98.21% | 98.95% |
| CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.42% | 95.56% |
| CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 95.10% | 86.33% |
| CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 95.08% | 89.00% |
| CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 93.36% | 96.77% |
| CHEMBL1075094 | Q16236 | Nuclear factor erythroid 2-related factor 2 | 91.95% | 96.00% |
| CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.41% | 96.09% |
| CHEMBL3401 | O75469 | Pregnane X receptor | 90.94% | 94.73% |
| CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 90.39% | 94.00% |
| CHEMBL2535 | P11166 | Glucose transporter | 87.43% | 98.75% |
| CHEMBL1293255 | P15428 | 15-hydroxyprostaglandin dehydrogenase [NAD+] | 87.35% | 83.57% |
| CHEMBL4208 | P20618 | Proteasome component C5 | 84.95% | 90.00% |
| CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 84.80% | 93.99% |
| CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 84.50% | 92.62% |
| CHEMBL1255126 | O15151 | Protein Mdm4 | 83.61% | 90.20% |
| CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 81.37% | 95.89% |
| CHEMBL3060 | Q9Y345 | Glycine transporter 2 | 80.83% | 99.17% |
| CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 80.44% | 82.67% |
| CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 80.28% | 96.67% |
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.
| Fumaria parviflora |
| Fumaria schleicheri subsp. microcarpa |
| PubChem | 54611245 |
| LOTUS | LTS0112862 |
| wikiData | Q104393873 |