(9R)-5-(2,6-dimethoxy-3-{[(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: AK098107

Synonym: None

IUPAC Name: (6S)-6-[[3-[[(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=CC2=C(C=C1OC1=C(OC)C=CC(C[C@H]3C4=C(CCN3C)C3=C(OCO3)C(OC)=C4)=C1OC)C[C@@H]1C3=C(CCN1C)C(OC)=C(OC)C(OC)=C23

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InChI: InChI=1S/C42H48N2O10/c1-43-14-12-24-27(20-33(47-5)39-38(24)52-21-53-39)28(43)16-22-10-11-30(45-3)40(36(22)48-6)54-32-18-23-17-29-34-25(13-15-44(29)2)37(49-7)42(51-9)41(50-8)35(34)26(23)19-31(32)46-4/h10-11,18-20,28-29H,12-17,21H2,1-9H3/t28-,29+/m0/s1

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InChIKey: QICIKXDDUAHDFX-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