Mbandakamine A; 1'',6'-Atropisomer
AlkaPlorer ID: AK305382
Synonym: Mbandakamine B
IUPAC Name: 5-[5-hydroxy-8-[1-hydroxy-4-(6-hydroxy-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-5-yl)-8-methoxy-6-methylnaphthalen-2-yl]-4-methoxy-7-methylnaphthalen-1-yl]-8-methoxy-1,3-dimethyl-1,2,3,4-tetrahydroisoquinolin-6-ol
Structure
SMILES: COC1=CC(O)=C(C2=CC(C3=C4C(C5=C(O)C=C(OC)C6=C5CC(C)NC6C)=CC=C(OC)C4=C(O)C=C3C)=C(O)C3=C(OC)C=C(C)C=C23)C2=C1C(C)NC(C)C2
InChI: InChI=1S/C48H52N2O8/c1-21-13-28-29(44-31-17-24(4)50-26(6)42(31)39(58-10)20-35(44)53)18-32(48(54)45(28)37(14-21)56-8)40-22(2)15-33(51)47-36(55-7)12-11-27(46(40)47)43-30-16-23(3)49-25(5)41(30)38(57-9)19-34(43)52/h11-15,18-20,23-26,49-54H,16-17H2,1-10H3
InChIKey: BLJJDDGPLGZUPD-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 784.9499999999999
TPSA？: 141.9
MolLogP？: 9.658040000000002
Number of H-Donors: 6
Number of H-Acceptors: 10
RingCount: 8
Activities Information
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