Radianthin

Details

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Internal ID acf32915-f428-41b9-b340-652e2ceaa22e
Taxonomy Organic oxygen compounds > Organooxygen compounds > Carbonyl compounds > Aryl ketones > Aryl alkyl ketones
IUPAC Name 2-ethyl-6-[(E)-prop-1-enyl]furo[3,2-c]pyran-3,4-dione
SMILES (Canonical) CCC1C(=O)C2=C(O1)C=C(OC2=O)C=CC
SMILES (Isomeric) CCC1C(=O)C2=C(O1)C=C(OC2=O)/C=C/C
InChI InChI=1S/C12H12O4/c1-3-5-7-6-9-10(12(14)15-7)11(13)8(4-2)16-9/h3,5-6,8H,4H2,1-2H3/b5-3+
InChI Key KDOLXLYJRKWVST-HWKANZROSA-N
Popularity 0 references in papers

Physical and Chemical Properties

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Molecular Formula C12H12O4
Molecular Weight 220.22 g/mol
Exact Mass 220.07355886 g/mol
Topological Polar Surface Area (TPSA) 52.60 Ų
XlogP 2.20

Synonyms

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1LC89G2LSA
UNII-1LC89G2LSA
97399-68-3
4H-Furo(3,2-C)pyran-3,4(2H)-dione, 2-ethyl-6-(1-propenyl)-, (E)-
4H-Furo(3,2-C)pyran-3,4(2H)-dione, 2-ethyl-6-(1E)-1-propen-1-yl-
Q27252575

2D Structure

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2D Structure of Radianthin

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
CHEMBL1293267 Q9HC97 G-protein coupled receptor 35 96.61% 89.34%
CHEMBL5619 P27695 DNA-(apurinic or apyrimidinic site) lyase 91.73% 91.11%
CHEMBL2581 P07339 Cathepsin D 91.44% 98.95%
CHEMBL3401 O75469 Pregnane X receptor 91.34% 94.73%
CHEMBL3108638 O15164 Transcription intermediary factor 1-alpha 91.15% 95.56%
CHEMBL1293249 Q13887 Kruppel-like factor 5 89.43% 86.33%
CHEMBL1806 P11388 DNA topoisomerase II alpha 87.80% 89.00%
CHEMBL4481 P35228 Nitric oxide synthase, inducible 87.37% 94.80%
CHEMBL2964 P36507 Dual specificity mitogen-activated protein kinase kinase 2 82.73% 80.00%
CHEMBL3038477 P67870 Casein kinase II alpha/beta 80.65% 99.23%

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 101417380
LOTUS LTS0123476
wikiData Q27252575