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

AlkaPlorer ID: AK146737

Synonym: None

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

Structure

SMILES: COC1=CC2=C(C=C1OC)[C@H](CC1=CC=C(O)C(OC)=C1OC1=CC3=C(C=C1OC)C1=C(OC)C(OC)=CC4=C1[C@H](C3)N(C)CC4)N(C)CC2

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InChI: InChI=1S/C40H46N2O8/c1-41-13-11-22-17-31(44-3)32(45-4)20-26(22)28(41)15-24-9-10-30(43)39(48-7)38(24)50-34-19-25-16-29-36-23(12-14-42(29)2)18-35(47-6)40(49-8)37(36)27(25)21-33(34)46-5/h9-10,17-21,28-29,43H,11-16H2,1-8H3/t28-,29-/m0/s1

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InChIKey: ZRYCTXFITXEGQD-VMPREFPWSA-N

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Reference

Alkaloids of thalictrum—XXIII

PubChem CID: 102278071

LOTUS: LTS0130353

SuperNatural Ⅲ: SN0478680-01

Source

Properties Information

Molecule Weight: 682.8139999999999

TPSA: 91.32

MolLogP: 6.759900000000008

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