Cinnabarine

AlkaPlorer ID: AK040698

Synonym: 2-Amino-9-(hydroxymethyl)-3-oxo-3H-phenoxazine-1-carboxylic acid, Polystictin 

IUPAC Name: 2-amino-9-(hydroxymethyl)-3-oxophenoxazine-1-carboxylic acid

Structure

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

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InChI: InChI=1S/C14H10N2O5/c15-11-7(18)4-9-13(10(11)14(19)20)16-12-6(5-17)2-1-3-8(12)21-9/h1-4,17H,5,15H2,(H,19,20)

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InChIKey: BHUPIKYIGMWGAD-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 286.243

TPSA: 126.65

MolLogP: 1.0655

Number of H-Donors: 3

Number of H-Acceptors: 6

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Bacillus cereus Bacillus cereus MIC 62.5 ug.mL-1 10.1021/np030372w
Leuconostoc Leuconostoc MIC 62.5 ug.mL-1 10.1021/np030372w

Metabolism Information