Raddeanine; (+)-form, 2-O-De-Me 

AlkaPlorer ID: AK312204

Synonym: Ledeboridine, Ledebouridine

IUPAC Name: 6-methoxy-2-methylspiro[3,4-dihydroisoquinoline-1,7'-6,8-dihydrocyclopenta[g][1,3]benzodioxole]-6',7,8'-triol

Structure

SMILES: COC1=CC2=C(C=C1O)C1(C(O)C3=CC=C4OCOC4=C3C1O)N(C)CC2

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

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InChIKey: QORTZZDWGWYNFK-UHFFFAOYSA-N

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Source

Properties Information

Molecule Weight: 371.3890000000002

TPSA: 91.62

MolLogP: 1.5932999999999995

Number of H-Donors: 3

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information