Michellamine E

AlkaPlorer ID: AK013164

Synonym: ''

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

Structure

SMILES: COC1=CC(C)=CC2=C(C3=C(O)C=C(O)C4=C3C[C@H](C)N[C@H]4C)C=C(C3=CC(C4=C(O)C=C(O)C5=C4C[C@@H](C)N(C)[C@@H]5C)=C4C=C(C)C=C(OC)C4=C3O)C(O)=C12

copy

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

copy

InChIKey: BWDHNUUYBZPQFQ-FQUZAXHOSA-N

copy

Properties Information

Molecule Weight: 770.923

TPSA: 155.11

MolLogP: 9.394239999999998

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