4,5,15-trimethoxy-10-methyl-8-oxo-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(16),2(7),3,5,9(17),10,12,14-octaen-10-ium-16-olate

AlkaPlorer ID: AK487299

Synonym: None

IUPAC Name: 4,5,15-trimethoxy-10-methyl-8-oxo-10-azoniatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,9,11,13,15-octaen-16-olate

Structure

SMILES: COC1=C(OC)C=C2C(=C1)C(=O)C1=[N+](C)C=CC3=CC(OC)=C([O-])C2=C13

copy

InChI: InChI=1S/C20H17NO5/c1-21-6-5-10-7-15(26-4)20(23)17-11-8-13(24-2)14(25-3)9-12(11)19(22)18(21)16(10)17/h5-9H,1-4H3

copy

InChIKey: PEPNCYBDUUMGBN-UHFFFAOYSA-N

copy

Source

Properties Information

Molecule Weight: 351.3580000000001

TPSA: 71.7

MolLogP: 1.9751

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information