(9R)-5-(2,4-dimethoxy-5-{[(6S)-4-methoxy-7-methyl-2H,6H,8H,9H-[1,3]dioxolo[4,5-f]isoquinolin-6-yl]methyl}phenoxy)-4,14,15,16-tetramethoxy-10-methyl-10-azatetracyclo[7.7.1.0²,⁷.0¹³,¹⁷]heptadeca-1(17),2(7),3,5,13,15-hexaene

AlkaPlorer ID: AK248940

Synonym: None

IUPAC Name: (6S)-6-[[5-[[(6aR)-1,2,3,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl]oxy]-2,4-dimethoxyphenyl]methyl]-4-methoxy-7-methyl-8,9-dihydro-6H-[1,3]dioxolo[4,5-f]isoquinoline

Structure

SMILES: COC1=CC(OC)=C(OC2=CC3=C(C=C2OC)C2=C(OC)C(OC)=C(OC)C4=C2[C@@H](C3)N(C)CC4)C=C1C[C@H]1C2=C(CCN1C)C1=C(OCO1)C(OC)=C2

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InChI: InChI=1S/C42H48N2O10/c1-43-12-10-24-27(19-35(48-6)40-39(24)52-21-53-40)28(43)15-23-17-34(32(47-5)20-30(23)45-3)54-33-16-22-14-29-36-25(11-13-44(29)2)38(49-7)42(51-9)41(50-8)37(36)26(22)18-31(33)46-4/h16-20,28-29H,10-15,21H2,1-9H3/t28-,29+/m0/s1

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InChIKey: QLUTYCPBZVWXAF-URLMMPGGSA-N

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Source

Properties Information

Molecule Weight: 740.85

TPSA: 98.78000000000002

MolLogP: 6.791600000000008

Number of H-Donors: 0

Number of H-Acceptors: 12

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information