2,3,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-9-one

Details

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Internal ID 288b42c9-468a-47fe-9d31-1fd1307d4831
Taxonomy Organoheterocyclic compounds > Isoquinolines and derivatives
IUPAC Name 2,3,10-trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-9-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C20H19NO4/c1-23-17-5-4-12-8-16-14-10-19(25-3)18(24-2)9-13(14)6-7-21(16)11-15(12)20(17)22/h4-5,8-11H,6-7H2,1-3H3
InChI Key QBUIDYLGKMWNEA-UHFFFAOYSA-N
Popularity 5 references in papers

Physical and Chemical Properties

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Molecular Formula C20H19NO4
Molecular Weight 337.40 g/mol
Exact Mass 337.13140809 g/mol
Topological Polar Surface Area (TPSA) 48.00 Ų
XlogP 2.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,3,10-Trimethoxy-5,6-dihydroisoquinolino[2,1-b]isoquinolin-9-one

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
CHEMBL2581 P07339 Cathepsin D 98.24% 98.95%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 98.00% 96.09%
CHEMBL241 Q14432 Phosphodiesterase 3A 95.99% 92.94%
CHEMBL5747 Q92793 CREB-binding protein 95.73% 95.12%
CHEMBL1293249 Q13887 Kruppel-like factor 5 95.20% 86.33%
CHEMBL5697 Q9GZT9 Egl nine homolog 1 93.97% 93.40%
CHEMBL4261 Q16665 Hypoxia-inducible factor 1 alpha 92.08% 85.14%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.54% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.96% 94.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 90.87% 93.99%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 88.82% 95.78%
CHEMBL4940 P07195 L-lactate dehydrogenase B chain 88.65% 95.53%
CHEMBL2056 P21728 Dopamine D1 receptor 87.35% 91.00%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 86.49% 92.38%
CHEMBL5608 Q16288 NT-3 growth factor receptor 84.44% 95.89%
CHEMBL4895 P30530 Tyrosine-protein kinase receptor UFO 83.92% 90.95%
CHEMBL4208 P20618 Proteasome component C5 83.73% 90.00%
CHEMBL4478 Q00975 Voltage-gated N-type calcium channel alpha-1B subunit 83.44% 97.14%
CHEMBL2535 P11166 Glucose transporter 81.00% 98.75%
CHEMBL5845 P23415 Glycine receptor subunit alpha-1 80.84% 90.71%

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.
Bongardia chrysogonum
Fibraurea tinctoria

Cross-Links

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PubChem 25210825
LOTUS LTS0135028
wikiData Q105218011