Cinnabarine; 1''-Carboxylic acid, 1'-aldehyde

AlkaPlorer ID: AK047528

Synonym: 2-Amino-1-formyl-3-oxo-3H-phenoxazine-9-carboxylic acid, Tramesanguin 

IUPAC Name: 8-amino-9-formyl-7-oxophenoxazine-1-carboxylic acid

Structure

SMILES: NC1=C(C=O)C2=NC3=C(C(=O)O)C=CC=C3OC2=CC1=O

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InChI: InChI=1S/C14H8N2O5/c15-11-7(5-17)13-10(4-8(11)18)21-9-3-1-2-6(14(19)20)12(9)16-13/h1-5H,15H2,(H,19,20)

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InChIKey: UBLBKPOVGFNTLW-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 284.22700000000003

TPSA: 123.49

MolLogP: 1.3857000000000002

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information