α'-Oxoperakensimine C; (R)-form, O7'-Me 

AlkaPlorer ID: AK309005

Synonym: α'-Oxoperakensimine A

IUPAC Name: (6,7-dimethoxy-3,4-dihydroisoquinolin-1-yl)-[4-[5-[(7-hydroxy-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenoxy]phenyl]methanone

Structure

SMILES: COC1=CC2=C(C=C1O)C(CC1=CC=C(OC)C(OC3=CC=C(C(=O)C4=NCCC5=CC(OC)=C(OC)C=C45)C=C3)=C1)N(C)CC2

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InChI: InChI=1S/C37H38N2O7/c1-39-15-13-25-18-32(43-3)30(40)20-27(25)29(39)16-22-6-11-31(42-2)35(17-22)46-26-9-7-23(8-10-26)37(41)36-28-21-34(45-5)33(44-4)19-24(28)12-14-38-36/h6-11,17-21,29,40H,12-16H2,1-5H3

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InChIKey: UIMKLKNTQNPALY-UHFFFAOYSA-N

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Reference

CAS: 1174908-28-1

Source

Properties Information

Molecule Weight: 622.7180000000002

TPSA: 99.05

MolLogP: 6.218700000000008

Number of H-Donors: 1

Number of H-Acceptors: 9

RingCount: 6

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information