(6Z)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]isoindol-8-one
Internal ID | 6b14f6a5-4147-46e9-89e6-42f3a2ec7304 |
Taxonomy | Organoheterocyclic compounds > Isoindoles and derivatives > Isoindolines > Isoindolones |
IUPAC Name | (6Z)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]isoindol-8-one |
SMILES (Canonical) | CN(C)CCC1=CC2=C(C=C1C=C3C4=C(C5=C(C=C4)OCO5)C(=O)N3)OCO2 |
SMILES (Isomeric) | CN(C)CCC1=CC2=C(C=C1/C=C\3/C4=C(C5=C(C=C4)OCO5)C(=O)N3)OCO2 |
InChI | InChI=1S/C21H20N2O5/c1-23(2)6-5-12-8-17-18(27-10-26-17)9-13(12)7-15-14-3-4-16-20(28-11-25-16)19(14)21(24)22-15/h3-4,7-9H,5-6,10-11H2,1-2H3,(H,22,24)/b15-7- |
InChI Key | ZURFNKDWDFKHSG-CHHVJCJISA-N |
Popularity | 1 reference in papers |
Molecular Formula | C21H20N2O5 |
Molecular Weight | 380.40 g/mol |
Exact Mass | 380.13722174 g/mol |
Topological Polar Surface Area (TPSA) | 69.30 Ų |
XlogP | 2.80 |
(6Z)-6-[[6-[2-(dimethylamino)ethyl]-1,3-benzodioxol-5-yl]methylidene]-[1,3]dioxolo[4,5-g]isoindol-8-one |
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 |
---|---|---|---|---|
CHEMBL2581 | P07339 | Cathepsin D | 98.50% | 98.95% |
CHEMBL5619 | P27695 | DNA-(apurinic or apyrimidinic site) lyase | 97.94% | 91.11% |
CHEMBL4224 | P49759 | Dual specificty protein kinase CLK1 | 97.85% | 85.30% |
CHEMBL4303 | P08238 | Heat shock protein HSP 90-beta | 96.23% | 96.77% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 95.91% | 94.45% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 95.75% | 95.56% |
CHEMBL240 | Q12809 | HERG | 95.14% | 89.76% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 94.43% | 93.40% |
CHEMBL4225 | P49760 | Dual specificity protein kinase CLK2 | 94.05% | 80.96% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 92.30% | 89.00% |
CHEMBL3401 | O75469 | Pregnane X receptor | 91.45% | 94.73% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 91.10% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 90.52% | 86.33% |
CHEMBL4481 | P35228 | Nitric oxide synthase, inducible | 89.22% | 94.80% |
CHEMBL2553 | Q15418 | Ribosomal protein S6 kinase alpha 1 | 88.11% | 85.11% |
CHEMBL226 | P30542 | Adenosine A1 receptor | 86.67% | 95.93% |
CHEMBL5103 | Q969S8 | Histone deacetylase 10 | 85.89% | 90.08% |
CHEMBL3922 | P50579 | Methionine aminopeptidase 2 | 84.88% | 97.28% |
CHEMBL4208 | P20618 | Proteasome component C5 | 84.80% | 90.00% |
CHEMBL4237 | O75582 | Ribosomal protein S6 kinase alpha 5 | 83.25% | 91.00% |
CHEMBL2378 | P30307 | Dual specificity phosphatase Cdc25C | 82.94% | 96.67% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 82.45% | 100.00% |
CHEMBL3155 | P34969 | Serotonin 7 (5-HT7) receptor | 82.02% | 90.71% |
CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 81.11% | 81.29% |
CHEMBL3310 | Q96DB2 | Histone deacetylase 11 | 80.95% | 88.56% |
CHEMBL228 | P31645 | Serotonin transporter | 80.44% | 95.51% |
CHEMBL255 | P29275 | Adenosine A2b receptor | 80.30% | 98.59% |
CHEMBL1937 | Q92769 | Histone deacetylase 2 | 80.08% | 94.75% |
CHEMBL2635 | P51452 | Dual specificity protein phosphatase 3 | 80.02% | 94.00% |
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.
Corydalis thyrsiflora |
Fumaria indica |
Fumaria parviflora |
PubChem | 15161648 |
LOTUS | LTS0029636 |
wikiData | Q104394379 |