(R)-6-Ethylbenzo[1,2-b:5,6-c']difuran-8(6H)-one

Details

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Internal ID b4c75f76-b4e5-4faf-bbfc-334932d5229d
Taxonomy Organoheterocyclic compounds > Benzofurans > Benzofuranones
IUPAC Name (6R)-6-ethyl-6H-furo[3,4-g][1]benzofuran-8-one
SMILES (Canonical) CCC1C2=C(C3=C(C=C2)C=CO3)C(=O)O1
SMILES (Isomeric) CC[C@@H]1C2=C(C3=C(C=C2)C=CO3)C(=O)O1
InChI InChI=1S/C12H10O3/c1-2-9-8-4-3-7-5-6-14-11(7)10(8)12(13)15-9/h3-6,9H,2H2,1H3/t9-/m1/s1
InChI Key NPJOJMUVGGLVJT-SECBINFHSA-N
Popularity 3 references in papers

Physical and Chemical Properties

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Molecular Formula C12H10O3
Molecular Weight 202.21 g/mol
Exact Mass 202.062994177 g/mol
Topological Polar Surface Area (TPSA) 39.40 Ų
XlogP 2.70

Synonyms

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1304528-48-0
SCHEMBL13500689
(6R)-6-ethyl-6H-furo[3,4-g]benzofuran-8-one
rel-(6R)-6-Ethylbenzol[2,1-b:3,4-c']difuran-8(6H)-one

2D Structure

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2D Structure of (R)-6-Ethylbenzo[1,2-b:5,6-c']difuran-8(6H)-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
CHEMBL2581 P07339 Cathepsin D 93.59% 98.95%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 89.81% 99.23%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 89.23% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 87.71% 86.33%
CHEMBL3401 O75469 Pregnane X receptor 84.67% 94.73%
CHEMBL4306 P22460 Voltage-gated potassium channel subunit Kv1.5 81.47% 94.03%
CHEMBL3830 Q2M2I8 Adaptor-associated kinase 80.00% 83.10%

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 11535768
LOTUS LTS0041867
wikiData Q105183079