Indigoidine

AlkaPlorer ID: AK109118

Synonym: 5-Amino-3-[5-amino-1,6-dihydro-2,6-dioxo-3(2H)-pyridinylidene]-2,6(1H,3H)-pyridinedione, 5,5'-Diamino-4,4'-dihydroxy-3,3'-diaza-2,2'-diphenoquinone 

IUPAC Name: 3-(5-amino-2-hydroxy-6-oxo-1H-pyridin-3-yl)-5-iminopyridine-2,6-dione

Structure

SMILES: NC1=CC(=C2C=C(N)C(=O)NC2=O)C(=O)NC1=O

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InChI: InChI=1S/C10H8N4O4/c11-5-1-3(7(15)13-9(5)17)4-2-6(12)10(18)14-8(4)16/h1-2H,11-12H2,(H,13,15,17)(H,14,16,18)

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InChIKey: ALDIVIWLBSDGGN-UHFFFAOYSA-N

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Reference

COCONUT: CNP0310245

Properties Information

Molecule Weight: 248.198

TPSA: 144.38

MolLogP: -2.7189999999999994

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information