Isoindolequinone A; O-De-Me, N-[2-(aminocarbonyl)phenyl] 

AlkaPlorer ID: AK073040

Synonym: Isoindolequinone B

IUPAC Name: 2-(5,6,7-trihydroxy-3-methyl-4,9-dioxobenzo[f]isoindol-2-yl)benzamide

Structure

SMILES: CC1=C2C(=O)C3=C(O)C(O)=C(O)C=C3C(=O)C2=CN1C1=CC=CC=C1C(=N)O

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InChI: InChI=1S/C20H14N2O6/c1-8-14-11(7-22(8)12-5-3-2-4-9(12)20(21)28)16(24)10-6-13(23)17(25)19(27)15(10)18(14)26/h2-7,23,25,27H,1H3,(H2,21,28)

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InChIKey: AHHRHPVDJMCSOB-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 378.34

TPSA: 143.84

MolLogP: 2.5612899999999987

Number of H-Donors: 5

Number of H-Acceptors: 7

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information