6a,7-Didehydro-7-hydroxy-1,2-dimethoxyaporphine; N-De-Me 

AlkaPlorer ID: AK014101

Synonym: 6a,7-Didehydro-7-hydroxy-1,2-dimethoxynoraporphine 

IUPAC Name: 15,16-dimethoxy-10-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(17),2,4,6,8,13,15-heptaen-8-ol

Structure

SMILES: COC1=CC2=C3C(=C(O)C4=CC=CC=C4C3=C1OC)NCC2

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InChI: InChI=1S/C18H17NO3/c1-21-13-9-10-7-8-19-16-14(10)15(18(13)22-2)11-5-3-4-6-12(11)17(16)20/h3-6,9,19-20H,7-8H2,1-2H3

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InChIKey: QTIWEKDQZLTOFV-UHFFFAOYSA-N

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Reference

PubChem CID: 162973235

COCONUT: CNP0244886

Properties Information

Molecule Weight: 295.338

TPSA: 50.72

MolLogP: 3.6838000000000015

Number of H-Donors: 2

Number of H-Acceptors: 4

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information