Civ_2.1
AlkaPlorer ID: AK373116
Synonym: None
IUPAC Name: 5-[4-hydroxy-3-[1-hydroxy-5-(8-hydroxy-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-tetrahydroisoquinolin-8-ol
Structure
SMILES: COC1=CC(C)=CC2=C(C3=CC=C(O)C4=C3CC(C)NC4C)C=C(C3=CC=C4C(C5=CC=C(O)C6=C5CC(C)NC6C)=C(C)C=C(OC)C4=C3O)C(O)=C12
InChI: InChI=1S/C46H48N2O6/c1-21-15-32-31(27-11-13-36(49)41-25(5)47-23(3)18-33(27)41)20-35(46(52)44(32)38(16-21)53-7)29-9-10-30-40(22(2)17-39(54-8)43(30)45(29)51)28-12-14-37(50)42-26(6)48-24(4)19-34(28)42/h9-17,20,23-26,47-52H,18-19H2,1-8H3
InChIKey: DZHBQVUCOBHAIH-UHFFFAOYSA-N
Source
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Properties Information
Molecule Weight: 724.8980000000001
TPSA？: 123.44
MolLogP？: 9.640839999999995
Number of H-Donors: 6
Number of H-Acceptors: 8
RingCount: 8
Activities Information
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