(6R,6aR)-N-Methylcalycinine-Nβ-oxide

AlkaPlorer ID: AK010490

Synonym: None

IUPAC Name: None

Structure

SMILES: [O-][N@+]1(C)CCC(C=C2C(OCO2)=C34)=C4[C@@]1([H])CC5=C3C(O)=CC(OC)=C5

copy

InChI: InChI=1S/C19H19NO5/c1-20(22)4-3-10-7-15-19(25-9-24-15)18-16(10)13(20)6-11-5-12(23-2)8-14(21)17(11)18/h5,7-8,13,21H,3-4,6,9H2,1-2H3/t13-,20-/m1/s1

copy

InChIKey: DOVWONXHNKLPLU-ZUOKHONESA-N

copy

Source

Properties Information

Molecule Weight: 341.363

TPSA: 70.98

MolLogP: 2.8942000000000014

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information