7,8,9-Trimethoxynaphtho[1,2-g][1,3]benzodioxole

Details

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Internal ID bad08d62-4b37-4d0b-9b1b-67f32431b210
Taxonomy Benzenoids > Phenanthrenes and derivatives
IUPAC Name 7,8,9-trimethoxynaphtho[1,2-g][1,3]benzodioxole
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C18H16O5/c1-19-14-8-10-4-5-12-11(6-7-13-16(12)23-9-22-13)15(10)18(21-3)17(14)20-2/h4-8H,9H2,1-3H3
InChI Key CUQPYVKUCVOYHG-UHFFFAOYSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C18H16O5
Molecular Weight 312.30 g/mol
Exact Mass 312.09977361 g/mol
Topological Polar Surface Area (TPSA) 46.20 Ų
XlogP 4.10

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 7,8,9-Trimethoxynaphtho[1,2-g][1,3]benzodioxole

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
CHEMBL4303 P08238 Heat shock protein HSP 90-beta 96.44% 96.77%
CHEMBL4203 Q9HAZ1 Dual specificity protein kinase CLK4 95.90% 94.45%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 94.76% 91.11%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 90.60% 94.80%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 90.51% 95.56%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 90.36% 94.00%
CHEMBL2373 P21730 C5a anaphylatoxin chemotactic receptor 90.35% 92.62%
CHEMBL3192 Q9BY41 Histone deacetylase 8 89.58% 93.99%
CHEMBL225 P28335 Serotonin 2c (5-HT2c) receptor 89.28% 89.62%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.20% 86.33%
CHEMBL1075094 Q16236 Nuclear factor erythroid 2-related factor 2 89.06% 96.00%
CHEMBL5311 P37023 Serine/threonine-protein kinase receptor R3 88.11% 82.67%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 84.27% 96.09%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 82.16% 94.03%
CHEMBL5925 P22413 Ectonucleotide pyrophosphatase/phosphodiesterase family member 1 80.48% 92.38%
CHEMBL2535 P11166 Glucose transporter 80.29% 98.75%

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.
Dioscorea communis

Cross-Links

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PubChem 90741235
LOTUS LTS0123488
wikiData Q104970427