(1R)-5-(4-{[(1R)-6-hydroxy-7-methoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl}phenoxy)-4-methoxycyclohexa-2,4-diene-1-carbaldehyde

AlkaPlorer ID: AK270892

Synonym: None

IUPAC Name: (1R)-5-[4-[[(1R)-6-hydroxy-7-methoxy-8-[(6-methoxy-2-methyl-1-oxo-3,4-dihydroisoquinolin-7-yl)oxy]-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]phenoxy]-4-methoxycyclohexa-2,4-diene-1-carbaldehyde

Structure

SMILES: COC1=C(OC2=CC=C(C[C@@H]3C4=C(C=C(O)C(OC)=C4OC4=CC5=C(C=C4OC)CCN(C)C5=O)CCN3C)C=C2)C[C@@H](C=O)C=C1

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InChI: InChI=1S/C37H40N2O8/c1-38-14-13-25-18-29(41)35(45-5)36(47-33-20-27-24(19-31(33)44-4)12-15-39(2)37(27)42)34(25)28(38)16-22-6-9-26(10-7-22)46-32-17-23(21-40)8-11-30(32)43-3/h6-11,18-21,23,28,41H,12-17H2,1-5H3/t23-,28+/m0/s1

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InChIKey: HFKFCWCPWDMQER-NEKDWFFYSA-N

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Source

Properties Information

Molecule Weight: 640.7330000000003

TPSA: 107.0

MolLogP: 5.613300000000007

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