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Concept information

... > organooxygen compound > carbonyl compound > ketone > alpha,beta-unsaturated ketone > enone > (2s)-5-hydroxy-7-methoxy-8-[(e)-3-oxo-1-butenyl]flavanone
organooxygen compound > carbonyl compound > ketone > methyl ketone > (2s)-5-hydroxy-7-methoxy-8-[(e)-3-oxo-1-butenyl]flavanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > methyl ketone > (2s)-5-hydroxy-7-methoxy-8-[(e)-3-oxo-1-butenyl]flavanone
organooxygen compound > carbonyl compound > ketone > aromatic ketone > (2s)-5-hydroxy-7-methoxy-8-[(e)-3-oxo-1-butenyl]flavanone
... > chemical entity > molecular entity > polyatomic entity > molecule > organic molecule > organic oxo compound > carbonyl compound > ketone > aromatic ketone > (2s)-5-hydroxy-7-methoxy-8-[(e)-3-oxo-1-butenyl]flavanone
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > flavanones > hydroxyflavanone > monohydroxyflavanone > (2s)-5-hydroxy-7-methoxy-8-[(e)-3-oxo-1-butenyl]flavanone
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > flavanones > hydroxyflavanone > monohydroxyflavanone > (2s)-5-hydroxy-7-methoxy-8-[(e)-3-oxo-1-butenyl]flavanone
... > organooxygen compound > ether > aromatic ether > methoxyflavanone > monomethoxyflavanone > (2s)-5-hydroxy-7-methoxy-8-[(e)-3-oxo-1-butenyl]flavanone
... > organooxygen compound > carbonyl compound > ketone > cyclic ketone > flavanones > methoxyflavanone > monomethoxyflavanone > (2s)-5-hydroxy-7-methoxy-8-[(e)-3-oxo-1-butenyl]flavanone
... > organooxygen compound > oxacycle > benzopyran > 1-benzopyran > flavans > flavanones > methoxyflavanone > monomethoxyflavanone > (2s)-5-hydroxy-7-methoxy-8-[(e)-3-oxo-1-butenyl]flavanone

Preferred term

(2s)-5-hydroxy-7-methoxy-8-[(e)-3-oxo-1-butenyl]flavanone  

Type

  • http://www.irandoc.ac.ir/onto/irandoc-meta/Concept

charge

  • 0

formula

  • C20H18O5

has_functional_parent

inchi

  • InChI=1S/C20H18O5/c1-12(21)8-9-14-18(24-2)11-16(23)19-15(22)10-17(25-20(14)19)13-6-4-3-5-7-13/h3-9,11,17,23H,10H2,1-2H3/b9-8+/t17-/m0/s1

inchikey

  • GAGKUHAKUBMORD-IJDCCNJMSA-N

mass

  • 338.35390

monoisotopicmass

  • 338.11542

smiles

  • COc1cc(O)c2C(=O)C[C@H](Oc2c1/C=C/C(C)=O)c1ccccc1

subset

  • 3_STAR

synonym EXACT

  • (2S)-5-hydroxy-7-methoxy-8-[(1E)-3-oxobut-1-en-1-yl]-2-phenyl-2,3-dihydro-4H-chromen-4-one

URI

http://www.irandoc.acir/onto/irandoc/CHEBI:66031

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