Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-15 08:44:05 UTC
Update Date2022-08-31 06:44:01 UTC
Metabolite IDMMDBc0018547
Metabolite Identification
Common NameIsochromophilone VII
DescriptionIsochromophilone VII belongs to the class of organic compounds known as azaphilones. These are a structurally variable family of fungal polyketide metabolites possessing a highly oxygenated pyranoquinone bicyclic core, usually known as isochromene, and a quaternary carbon center. Based on a literature review very few articles have been published on Isochromophilone VII.
Structure
Synonyms
ValueSource
5-Chloro-3-(3',5'-dimethyl-1',3'-heptadienyl)-1,7,8a-trihydro-7,8a-dihydroxy-7-methyl-6H-2-benzopyran-6,8(7H)-dione 7-acetateMeSH
Molecular FormulaC21H25ClO6
Average Mass408.88
Monoisotopic Mass408.1339662
IUPAC Name5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dien-1-yl]-8a-hydroxy-7-methyl-6,8-dioxo-6,7,8,8a-tetrahydro-1H-isochromen-7-yl acetate
Traditional Name5-chloro-3-[(1E,3E)-3,5-dimethylhepta-1,3-dien-1-yl]-8a-hydroxy-7-methyl-6,8-dioxo-1H-isochromen-7-yl acetate
CAS Registry NumberNot Available
SMILES
[H]\C(=C(\[H])C1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2(O)CO1)\C(\C)=C(/[H])C(C)CC
InChI Identifier
InChI=1S/C21H25ClO6/c1-6-12(2)9-13(3)7-8-15-10-16-17(22)18(24)20(5,28-14(4)23)19(25)21(16,26)11-27-15/h7-10,12,26H,6,11H2,1-5H3/b8-7+,13-9+
InChI KeyAJQIMDBOBJADCM-NJHPPEEMSA-N