6-(6-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)furo[3,4-E][1,3]benzodioxol-8(6H)-one
Internal ID | 591a9cc3-84a2-4fe8-b1b3-305986f3c9e5 |
Taxonomy | Alkaloids and derivatives > Phthalide isoquinolines |
IUPAC Name | 6-(6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl)-6H-furo[3,4-g][1,3]benzodioxol-8-one |
SMILES (Canonical) | CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3 |
SMILES (Isomeric) | CN1CCC2=CC3=C(C=C2C1C4C5=C(C6=C(C=C5)OCO6)C(=O)O4)OCO3 |
InChI | InChI=1S/C20H17NO6/c1-21-5-4-10-6-14-15(25-8-24-14)7-12(10)17(21)18-11-2-3-13-19(26-9-23-13)16(11)20(22)27-18/h2-3,6-7,17-18H,4-5,8-9H2,1H3 |
InChI Key | IYGYMKDQCDOMRE-UHFFFAOYSA-N |
Popularity | 6 references in papers |
Molecular Formula | C20H17NO6 |
Molecular Weight | 367.40 g/mol |
Exact Mass | 367.10558726 g/mol |
Topological Polar Surface Area (TPSA) | 66.50 Ų |
XlogP | 2.60 |
(6R)-6-[(5S)-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-6H-furo[3,4-g][1,3]benzodioxol-8-one |
Oprea1_485116 |
6-(6-Methyl-5,6,7,8-tetrahydro[1,3]dioxolo[4,5-g]isoquinolin-5-yl)furo[3,4-E][1,3]benzodioxol-8(6H)-one |
SCHEMBL5481014 |
CHEMBL1444722 |
ACon1_001600 |
DTXSID30859402 |
IYGYMKDQCDOMRE-UHFFFAOYSA-N |
(+)-Bicuculline,1(S),9(R) |
HMS3369C12 |
There are more than 10 synonyms. If you wish to see them all click here. |
Target | Value | Probability (raw) | Probability (%) |
---|---|---|---|
No predicted properties yet! |
Proven Targets:
CHEMBL ID | UniProt ID | Name | Min activity | Assay type | Source |
---|---|---|---|---|---|
CHEMBL1293235 | P02545 | Prelamin-A/C |
281.8 nM |
Potency |
via Super-PRED
|
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% |
CHEMBL5697 | Q9GZT9 | Egl nine homolog 1 | 98.00% | 93.40% |
CHEMBL3108638 | O15164 | Transcription intermediary factor 1-alpha | 97.48% | 95.56% |
CHEMBL2581 | P07339 | Cathepsin D | 95.51% | 98.95% |
CHEMBL3251 | P19838 | Nuclear factor NF-kappa-B p105 subunit | 94.53% | 96.09% |
CHEMBL1293249 | Q13887 | Kruppel-like factor 5 | 89.21% | 86.33% |
CHEMBL4203 | Q9HAZ1 | Dual specificity protein kinase CLK4 | 88.39% | 94.45% |
CHEMBL1841 | P06241 | Tyrosine-protein kinase FYN | 86.21% | 81.29% |
CHEMBL3192 | Q9BY41 | Histone deacetylase 8 | 86.00% | 93.99% |
CHEMBL5608 | Q16288 | NT-3 growth factor receptor | 85.76% | 95.89% |
CHEMBL3038477 | P67870 | Casein kinase II alpha/beta | 85.45% | 99.23% |
CHEMBL5311 | P37023 | Serine/threonine-protein kinase receptor R3 | 84.73% | 82.67% |
CHEMBL4261 | Q16665 | Hypoxia-inducible factor 1 alpha | 84.33% | 85.14% |
CHEMBL2056 | P21728 | Dopamine D1 receptor | 84.27% | 91.00% |
CHEMBL3384 | Q16512 | Protein kinase N1 | 83.70% | 80.71% |
CHEMBL1994 | P08235 | Mineralocorticoid receptor | 83.54% | 100.00% |
CHEMBL2335 | P42785 | Lysosomal Pro-X carboxypeptidase | 82.62% | 100.00% |
CHEMBL1806 | P11388 | DNA topoisomerase II alpha | 82.30% | 89.00% |
CHEMBL2083 | P15090 | Fatty acid binding protein adipocyte | 80.60% | 95.71% |
CHEMBL2146302 | O94925 | Glutaminase kidney isoform, mitochondrial | 80.57% | 100.00% |
CHEMBL2373 | P21730 | C5a anaphylatoxin chemotactic receptor | 80.50% | 92.62% |
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.
PubChem | 2376 |
LOTUS | LTS0225363 |
wikiData | Q105122740 |