Asterriquinol D dimethyl ether

Details

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Internal ID 9b454425-e45a-4470-a6f3-dd0cc770d402
Taxonomy Organoheterocyclic compounds > Pyrroles > Substituted pyrroles > Phenylpyrroles
IUPAC Name 3-[4-(1H-indol-3-yl)-2,3,5,6-tetramethoxyphenyl]-1H-indole
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C26H24N2O4/c1-29-23-21(17-13-27-19-11-7-5-9-15(17)19)25(31-3)26(32-4)22(24(23)30-2)18-14-28-20-12-8-6-10-16(18)20/h5-14,27-28H,1-4H3
InChI Key LXKDFRJCVQJIIM-UHFFFAOYSA-N
Popularity 4 references in papers

Physical and Chemical Properties

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Molecular Formula C26H24N2O4
Molecular Weight 428.50 g/mol
Exact Mass 428.17360725 g/mol
Topological Polar Surface Area (TPSA) 68.50 Ų
XlogP 5.30

Synonyms

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287117-66-2
3,3'-(2,3,5,6-tetramethoxy-1,4-phenylene)bis-1H-indole
3-[4-(1H-indol-3-yl)-2,3,5,6-tetramethoxyphenyl]-1H-indole
Asterriquinol D dimethylether
HY-118427
CS-0065915

2D Structure

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2D Structure of Asterriquinol D dimethyl ether

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 94.78% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.63% 95.56%
CHEMBL2708 Q16584 Mitogen-activated protein kinase kinase kinase 11 91.24% 81.14%
CHEMBL2535 P11166 Glucose transporter 90.20% 98.75%
CHEMBL2581 P07339 Cathepsin D 89.94% 98.95%
CHEMBL2095172 P14867 GABA-A receptor; alpha-1/beta-2/gamma-2 89.30% 92.67%
CHEMBL3251 P19838 Nuclear factor NF-kappa-B p105 subunit 88.94% 96.09%
CHEMBL4225 P49760 Dual specificity protein kinase CLK2 88.43% 80.96%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 85.87% 94.00%
CHEMBL3192 Q9BY41 Histone deacetylase 8 85.20% 93.99%
CHEMBL5543 Q9Y463 Dual specificity tyrosine-phosphorylation-regulated kinase 1B 85.11% 94.70%
CHEMBL2035 P08912 Muscarinic acetylcholine receptor M5 84.74% 94.62%
CHEMBL2002 P12268 Inosine-5'-monophosphate dehydrogenase 2 84.55% 98.21%
CHEMBL1821 P08173 Muscarinic acetylcholine receptor M4 83.07% 94.08%
CHEMBL213 P08588 Beta-1 adrenergic receptor 82.42% 95.56%
CHEMBL1907 P15144 Aminopeptidase N 82.34% 93.31%
CHEMBL2378 P30307 Dual specificity phosphatase Cdc25C 80.45% 96.67%
CHEMBL2716 Q8WUI4 Histone deacetylase 7 80.21% 89.44%

Plants that contains it

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Below are displayed all the plants proven (via scientific papers) to contain this compound!
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There are no matching plants.

Cross-Links

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PubChem 137700380
LOTUS LTS0196428
wikiData Q105158897