Adiantifoline

AlkaPlorer ID: AK028223

Synonym: '', 'Adiantifoline'

IUPAC Name: (6aS)-9-[2-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

Structure

SMILES: COC1=C(OC)C=C(OC2=CC3=C(C=C2OC)C2=C(OC)C(OC)=C(OC)C4=C2[C@H](C3)N(C)CC4)C(C[C@H]2C3=CC(OC)=C(OC)C=C3CCN2C)=C1

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InChI: InChI=1S/C42H50N2O9/c1-43-13-11-23-17-32(45-3)34(47-5)20-27(23)29(43)16-25-19-33(46-4)36(49-7)22-31(25)53-37-18-24-15-30-38-26(12-14-44(30)2)40(50-8)42(52-10)41(51-9)39(38)28(24)21-35(37)48-6/h17-22,29-30H,11-16H2,1-10H3/t29-,30-/m0/s1

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InChIKey: UEKRHVIBSZVFQN-KYJUHHDHSA-N

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Source

Properties Information

Molecule Weight: 726.8670000000001

TPSA: 89.55000000000001

MolLogP: 7.071500000000008

Number of H-Donors: 0

Number of H-Acceptors: 11

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information