3,4-Dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridine

Details

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Internal ID 3f2335b9-fb63-4b3b-a164-cecac646e8a9
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives
IUPAC Name 3,4-dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridine
SMILES (Canonical) COC1=C(C2=C3C=CC4=CC5=C(C=C4C3=NC=C2C=C1)OCO5)OC
SMILES (Isomeric) COC1=C(C2=C3C=CC4=CC5=C(C=C4C3=NC=C2C=C1)OCO5)OC
InChI InChI=1S/C20H15NO4/c1-22-15-6-4-12-9-21-19-13(18(12)20(15)23-2)5-3-11-7-16-17(8-14(11)19)25-10-24-16/h3-9H,10H2,1-2H3
InChI Key GGOQNPMQWNXDQK-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C20H15NO4
Molecular Weight 333.30 g/mol
Exact Mass 333.10010796 g/mol
Topological Polar Surface Area (TPSA) 49.80 Ų
XlogP 4.40

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 3,4-Dimethoxy-[1,3]benzodioxolo[5,6-c]phenanthridine

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
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.87% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.03% 94.45%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 93.03% 96.77%
CHEMBL2535 P11166 Glucose transporter 92.91% 98.75%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 92.40% 92.62%
CHEMBL2039 P27338 Monoamine oxidase B 92.32% 92.51%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.23% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 91.34% 96.00%
CHEMBL5747 Q92793 CREB-binding protein 91.11% 95.12%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 88.74% 89.62%
CHEMBL4040 P28482 MAP kinase ERK2 88.64% 83.82%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 88.58% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 88.53% 91.49%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 87.54% 95.78%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.52% 96.09%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 84.46% 80.96%
CHEMBL3060 Q9Y345 Glycine transporter 2 84.33% 99.17%
CHEMBL5608 Q16288 NT-3 growth factor receptor 83.27% 95.89%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 82.38% 94.03%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 82.24% 95.56%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 82.06% 94.80%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 81.63% 92.38%
CHEMBL1806 P11388 DNA topoisomerase II alpha 80.53% 89.00%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 80.31% 85.49%
CHEMBL344 Q99705 Melanin-concentrating hormone receptor 1 80.27% 92.50%
CHEMBL2717 Q9HCR9 Phosphodiesterase 11A 80.16% 85.00%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 80.13% 82.67%

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.
Argemone mexicana

Cross-Links

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PubChem 101497140
LOTUS LTS0243204
wikiData Q105008252