Fumaricine; (-)-form, O2-De-Me, N-oxide 

AlkaPlorer ID: AK298775

Synonym: Fumaritine N-oxide, Alkaloid Fk-5 

IUPAC Name: 6-methoxy-2-methyl-2-oxidospiro[3,4-dihydroisoquinolin-2-ium-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-7,8'-diol

Structure

SMILES: COC1=CC2=C(C=C1O)C1(CC3=CC=C4OCOC4=C3C1O)[N+](C)([O-])CC2

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InChI: InChI=1S/C20H21NO6/c1-21(24)6-5-11-7-16(25-2)14(22)8-13(11)20(21)9-12-3-4-15-18(27-10-26-15)17(12)19(20)23/h3-4,7-8,19,22-23H,5-6,9-10H2,1-2H3

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InChIKey: GIGLNPLPIFRSFH-UHFFFAOYSA-N

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Reference

PubChem CID: 73832277

CAS: 60604-88-8

Properties Information

Molecule Weight: 371.3890000000001

TPSA: 91.21

MolLogP: 2.115

Number of H-Donors: 2

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information