(1R)-1-[(4,5-dimethoxy-2-{[(9S)-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-hexaen-5-yl]oxy}phenyl)methyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-5-ol

AlkaPlorer ID: AK130299

Synonym: None

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

Structure

SMILES: COC1=CC(C[C@@H]2C3=CC(OC)=C(OC)C(O)=C3CCN2C)=C(OC2=CC3=C(C=C2OC)C2=C(OC)C(OC)=C(OC)C4=C2[C@H](C3)N(C)CC4)C=C1OC

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InChI: InChI=1S/C42H50N2O10/c1-43-13-11-24-27(20-35(49-6)40(51-8)38(24)45)28(43)16-23-18-31(46-3)33(48-5)21-30(23)54-34-17-22-15-29-36-25(12-14-44(29)2)39(50-7)42(53-10)41(52-9)37(36)26(22)19-32(34)47-4/h17-21,28-29,45H,11-16H2,1-10H3/t28-,29+/m1/s1

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InChIKey: NKUARQOCOZDNAS-WDYNHAJCSA-N

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Source

Properties Information

Molecule Weight: 742.8659999999999

TPSA: 109.78000000000002

MolLogP: 6.777100000000008

Number of H-Donors: 1

Number of H-Acceptors: 12

RingCount: 7

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information