PTA_UDS_226.1

AlkaPlorer ID: AK005771

Synonym: '', 'ConMedNP.298', 'ConMedNP.299', 'Xanthoxoline', 'Dataset-S1.194'

IUPAC Name: 1-hydroxy-2,3-dimethoxy-10H-acridin-9-one

Structure

SMILES: COC1=CC2=C(C(O)=C1OC)C(=O)C1=CC=CC=C1N2

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InChI: InChI=1S/C15H13NO4/c1-19-11-7-10-12(14(18)15(11)20-2)13(17)8-5-3-4-6-9(8)16-10/h3-7,18H,1-2H3,(H,16,17)

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InChIKey: CYPILPIHKOUTNO-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 271.272

TPSA: 71.55

MolLogP: 2.4041

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 3

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information