Michellamine D

AlkaPlorer ID: AK053892

Synonym: ''

IUPAC Name: (1S,3S)-5-[4-hydroxy-3-[1-hydroxy-4-[(1S,3R)-6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl]-8-methoxy-6-methylnaphthalen-2-yl]-5-methoxy-7-methylnaphthalen-1-yl]-1,3-dimethyl-1,2,3,4-tetrahydroisoquinoline-6,8-diol

Structure

SMILES: COC1=CC(O)=C(C2=CC(C3=CC(C4=C(O)C=C(O)C5=C4C[C@H](C)N[C@H]5C)=C4C=C(C)C=C(OC)C4=C3O)=C(O)C3=C(OC)C=C(C)C=C23)C2=C1[C@H](C)N[C@H](C)C2

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InChI: InChI=1S/C47H50N2O8/c1-20-10-26-28(42-32-14-22(3)48-24(5)40(32)34(50)18-35(42)51)16-30(46(53)44(26)37(12-20)55-7)31-17-29(27-11-21(2)13-38(56-8)45(27)47(31)54)43-33-15-23(4)49-25(6)41(33)39(57-9)19-36(43)52/h10-13,16-19,22-25,48-54H,14-15H2,1-9H3/t22-,23+,24-,25-/m0/s1

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InChIKey: ZWXPIGTZTDZJFU-NDBXHCKUSA-N

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Properties Information

Molecule Weight: 770.923

TPSA: 152.9

MolLogP: 9.355040000000004

Number of H-Donors: 7

Number of H-Acceptors: 10

RingCount: 8

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi

Metabolism Information