2,8-Dichloro-3,7-dihydroxy-1,9-dimethyldibenzofuran

Details

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Internal ID 68a6d041-6674-4cb8-a977-81a130f24959
Taxonomy Organoheterocyclic compounds > Benzofurans > Dibenzofurans > Chlorinated dibenzofurans > Polychlorinated dibenzofurans
IUPAC Name 2,8-dichloro-1,9-dimethyldibenzofuran-3,7-diol
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C14H10Cl2O3/c1-5-11-9(3-7(17)13(5)15)19-10-4-8(18)14(16)6(2)12(10)11/h3-4,17-18H,1-2H3
InChI Key XVPPGKXWIGWIPD-UHFFFAOYSA-N
Popularity 1 reference in papers

Physical and Chemical Properties

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Molecular Formula C14H10Cl2O3
Molecular Weight 297.10 g/mol
Exact Mass 296.0006996 g/mol
Topological Polar Surface Area (TPSA) 53.60 Ų
XlogP 4.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of 2,8-Dichloro-3,7-dihydroxy-1,9-dimethyldibenzofuran

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 96.22% 91.11%
CHEMBL3401 O75469 Pregnane X receptor 92.36% 94.73%
CHEMBL2635 P51452 Dual specificity protein phosphatase 3 87.19% 94.00%
CHEMBL3194 P02766 Transthyretin 86.71% 90.71%
CHEMBL5409 Q8TDU6 G-protein coupled bile acid receptor 1 85.28% 93.65%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 84.39% 95.56%
CHEMBL2581 P07339 Cathepsin D 80.55% 98.95%

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 90891875
LOTUS LTS0141789
wikiData Q77483685