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

AlkaPlorer ID: AK251285

Synonym: None

IUPAC Name: (6aS)-11-[2-[[(1R)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-4,5-dimethoxyphenoxy]-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

Structure

SMILES: COC1=C(OC)C=C(OC2=C3C(=CC=C2OC)C[C@H]2C4=C(C=C(OC)C(OC)=C34)CCN2C)C(C[C@@H]2C3=CC(OC)=C(OC)C=C3CCN2C)=C1

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InChI: InChI=1S/C41H48N2O8/c1-42-14-12-23-18-32(45-4)34(47-6)21-27(23)28(42)17-26-20-33(46-5)35(48-7)22-31(26)51-41-30(44-3)11-10-24-16-29-37-25(13-15-43(29)2)19-36(49-8)40(50-9)39(37)38(24)41/h10-11,18-22,28-29H,12-17H2,1-9H3/t28-,29+/m1/s1

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InChIKey: CGBZTBVMBAQHHC-WDYNHAJCSA-N

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Reference

Thalictrum Alkaloids I

PubChem CID: 163015075

LOTUS: LTS0152133

SuperNatural Ⅲ: SN0044814-01

Source

Properties Information

Molecule Weight: 696.8410000000001

TPSA: 80.32000000000001

MolLogP: 7.062900000000008

Number of H-Donors: 0

Number of H-Acceptors: 10

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information