2-Methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-1-ol

Details

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Internal ID 3b6b6b23-2d15-4b99-9185-f87fa4cdc37c
Taxonomy Organoheterocyclic compounds > Quinolines and derivatives > Benzoquinolines > Phenanthridines and derivatives
IUPAC Name 2-methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-1-ol
SMILES (Canonical) COC1=C(C2=CN=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)O
SMILES (Isomeric) COC1=C(C2=CN=C3C(=C2C=C1)C=CC4=CC5=C(C=C43)OCO5)O
InChI InChI=1S/C19H13NO4/c1-22-15-5-4-11-12-3-2-10-6-16-17(24-9-23-16)7-13(10)18(12)20-8-14(11)19(15)21/h2-8,21H,9H2,1H3
InChI Key FRSOYBXQJMIDQW-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C19H13NO4
Molecular Weight 319.30 g/mol
Exact Mass 319.08445790 g/mol
Topological Polar Surface Area (TPSA) 60.80 Ų
XlogP 4.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2-Methoxy-[1,3]benzodioxolo[5,6-c]phenanthridin-1-ol

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
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 96.62% 91.11%
CHEMBL1951 P21397 Monoamine oxidase A 94.74% 91.49%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 94.73% 94.00%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 94.17% 94.45%
CHEMBL1293249 Q13887 Kruppel-like factor 5 92.70% 86.33%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 91.11% 92.62%
CHEMBL2535 P11166 Glucose transporter 90.74% 98.75%
CHEMBL3060 Q9Y345 Glycine transporter 2 89.34% 99.17%
CHEMBL4224 P49759 Dual specificty protein kinase CLK1 89.13% 85.30%
CHEMBL5339 Q5NUL3 G-protein coupled receptor 120 87.67% 95.78%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 87.04% 96.00%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 86.40% 96.09%
CHEMBL5608 Q16288 NT-3 growth factor receptor 85.86% 95.89%
CHEMBL4145 Q9UKV0 Histone deacetylase 9 85.57% 85.49%
CHEMBL3714130 P46095 G-protein coupled receptor 6 85.50% 97.36%
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 85.42% 96.77%
CHEMBL1806 P11388 DNA topoisomerase II alpha 84.25% 89.00%
CHEMBL1937 Q92769 Histone deacetylase 2 84.25% 94.75%
CHEMBL4208 P20618 Proteasome component C5 84.18% 90.00%
CHEMBL3713062 P10646 Tissue factor pathway inhibitor 84.11% 97.33%
CHEMBL1860 P10827 Thyroid hormone receptor alpha 83.91% 99.15%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 83.81% 95.56%
CHEMBL344 Q99705 Melanin-concentrating hormone receptor 1 83.60% 92.50%
CHEMBL241 Q14432 Phosphodiesterase 3A 82.04% 92.94%
CHEMBL3864 Q06124 Protein-tyrosine phosphatase 2C 81.44% 94.42%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 81.25% 99.23%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 81.25% 89.62%
CHEMBL3401 O75469 Pregnane X receptor 80.59% 94.73%

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.
Zanthoxylum integrifoliolum

Cross-Links

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PubChem 135844948
LOTUS LTS0167340
wikiData Q105000406