(1S)-1-[(4,5-dimethoxy-2-{[(9S)-3,4,15-trimethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaen-16-yl]oxy}phenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

AlkaPlorer ID: AK058639

Synonym: None

IUPAC Name: (1S)-1-[[2-[[(6aS)-2,10,11-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-yl]oxy]-4,5-dimethoxyphenyl]methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-ol

Structure

SMILES: COC1=CC2=C(C=C1O)[C@H](CC1=CC(OC)=C(OC)C=C1OC1=C(OC)C=C3CCN(C)[C@H]4CC5=CC=C(OC)C(OC)=C5C1=C34)N(C)CC2

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InChI: InChI=1S/C40H46N2O8/c1-41-13-11-22-17-32(45-4)29(43)20-26(22)27(41)16-25-19-33(46-5)34(47-6)21-31(25)50-40-35(48-7)18-24-12-14-42(2)28-15-23-9-10-30(44-3)39(49-8)37(23)38(40)36(24)28/h9-10,17-21,27-28,43H,11-16H2,1-8H3/t27-,28-/m0/s1

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InChIKey: UIXXHKFZZFPZMM-NSOVKSMOSA-N

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Source

Properties Information

Molecule Weight: 682.814

TPSA: 91.32

MolLogP: 6.759900000000007

Number of H-Donors: 1

Number of H-Acceptors: 10

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information