(2R)-3,4-dichloro-2-hydroxy-2H-furan-5-one

Details

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Internal ID 3353dad9-2c4d-416d-94cd-243903d527ef
Taxonomy Organoheterocyclic compounds > Dihydrofurans > Furanones > Butenolides
IUPAC Name (2R)-3,4-dichloro-2-hydroxy-2H-furan-5-one
SMILES (Canonical)
SMILES (Isomeric)
InChI InChI=1S/C4H2Cl2O3/c5-1-2(6)4(8)9-3(1)7/h3,7H/t3-/m1/s1
InChI Key ZAKLKBFCSHJIRI-GSVOUGTGSA-N
Popularity 2 references in papers

Physical and Chemical Properties

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Molecular Formula C4H2Cl2O3
Molecular Weight 168.96 g/mol
Exact Mass 167.9380993 g/mol
Topological Polar Surface Area (TPSA) 46.50 Ų
XlogP 0.90

Synonyms

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There are no found synonyms.

2D Structure

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2D Structure of (2R)-3,4-dichloro-2-hydroxy-2H-furan-5-one

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 88.77% 91.11%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 86.69% 95.56%
CHEMBL253 P34972 Cannabinoid CB2 receptor 80.07% 97.25%
CHEMBL3401 O75469 Pregnane X receptor 80.03% 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.
Lessingianthus linearis

Cross-Links

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PubChem 5325919
LOTUS LTS0128489
wikiData Q105369923