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5-amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4h-1-benzopyran-4-one

  • Formula: C16H21NO5

  • Molecular weight: 307.34

  • Smiles: CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CC(COC)O)C

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5-amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4h-1-benzopyran-4-one

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Structural Information
Physico-chemical Properties
ADME
Toxicity
Medical Chemistry
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Names

  • Mycotoxin name: 5-amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4h-1-benzopyran-4-one

  • First synonym: 5-amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4h-1-benzopyran-4-one

  • Synonyms: 5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxy-1-oxobutyl)-2,2-dimethyl-4H-1-benzopyran-4-one,CHEBI:174939,5-amino-6-(3-hydroxy-4-methoxybutanoyl)-2,2-dimethyl-3H-chromen-4-one,5-Amino-2,3-dihydro-6-(3-hydroxy-4-methoxybutanoyl)-2,2-dimethyl-4H-4-chromanone

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Structure

  • Smiles: CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CC(COC)O)C

  • Isomeric smiles: CC1(CC(=O)C2=C(O1)C=CC(=C2N)C(=O)CC(COC)O)C

  • Inchi: InChI=1S/C16H21NO5/c1-16(2)7-12(20)14-13(22-16)5-4-10(15(14)17)11(19)6-9(18)8-21-3/h4-5,9,18H,6-8,17H2,1-3H3

  • Inchikey: NOROKJIAOJKYOE-UHFFFAOYSA-N

  • 2D structure:

  • 3D structure:

Physico-chemical properties

  • Formula: C16H21NO5

  • Molecular weight: 307.34

  • Monoisotopic mass: 307.14197277

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