6,7-Dimethoxyisoquinoline

Details

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Internal ID 9c3eaebb-2736-4d86-95de-aefb44583169
Taxonomy Organoheterocyclic compounds > Isoquinolines and derivatives
IUPAC Name 6,7-dimethoxyisoquinoline
SMILES (Canonical) COC1=C(C=C2C=NC=CC2=C1)OC
SMILES (Isomeric) COC1=C(C=C2C=NC=CC2=C1)OC
InChI InChI=1S/C11H11NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h3-7H,1-2H3
InChI Key JAJVYESKUNMYPN-UHFFFAOYSA-N
Popularity 37 references in papers

Physical and Chemical Properties

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Molecular Formula C11H11NO2
Molecular Weight 189.21 g/mol
Exact Mass 189.078978594 g/mol
Topological Polar Surface Area (TPSA) 31.40 Ų
XlogP 2.00

Synonyms

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15248-39-2
Backebergine
isoquinoline, 6,7-dimethoxy-
U7Z274S93H
6,7-dimethoxy-isoquinoline
C09348
UNII-U7Z274S93H
CHEBI:2971
SCHEMBL1271246
DTXSID50165032
There are more than 10 synonyms. If you wish to see them all click here.

2D Structure

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2D Structure of 6,7-Dimethoxyisoquinoline

3D Structure

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ADMET Properties (via admetSAR 2)

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Target Value Probability (raw) Probability (%)
No predicted properties yet!

Targets

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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
CHEMBL1293249 Q13887 Kruppel-like factor 5 91.77% 86.33%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 91.07% 85.30%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.69% 94.00%
CHEMBL2535 P11166 Glucose transporter 87.63% 98.75%
CHEMBL5747 Q92793 CREB-binding protein 87.58% 95.12%
CHEMBL2243 O00519 Anandamide amidohydrolase 87.32% 97.53%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 87.32% 96.09%
CHEMBL4208 P20618 Proteasome component C5 86.94% 90.00%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 86.13% 96.00%
CHEMBL3714130 P46095 G-protein coupled receptor 6 85.06% 97.36%
CHEMBL4158 P49327 Fatty acid synthase 84.54% 82.50%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 83.15% 94.45%
CHEMBL1868 P17948 Vascular endothelial growth factor receptor 1 82.85% 96.47%
CHEMBL3492 P49721 Proteasome Macropain subunit 81.93% 90.24%
CHEMBL2335 P42785 Lysosomal Pro-X carboxypeptidase 81.87% 100.00%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 81.41% 93.65%
CHEMBL1907599 P05556 Integrin alpha-4/beta-1 81.03% 92.86%

Plants that contains it

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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.
Backebergia militaris
Hernandia sonora
Pachycereus weberi
Xylopia parviflora

Cross-Links

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PubChem 177578
LOTUS LTS0222466
wikiData Q27105903