Thalistine; O5-Me
AlkaPlorer ID: AK315828
Synonym: N-Demethylthalistyline
IUPAC Name: 9-methoxy-5-[[4-[2-methoxy-5-[(5,6,7-trimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]phenoxy]phenyl]methyl]-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinoline
Structure
SMILES: COC1=CC=C(CC2C3=C(CCN2C)C(OC)=C(OC)C(OC)=C3)C=C1OC1=CC=C(CC2C3=C(CCN2C)C(OC)=C2OCOC2=C3)C=C1
InChI: InChI=1S/C40H46N2O8/c1-41-17-15-28-30(22-36-40(38(28)46-6)49-23-48-36)31(41)18-24-8-11-26(12-9-24)50-34-20-25(10-13-33(34)43-3)19-32-29-21-35(44-4)39(47-7)37(45-5)27(29)14-16-42(32)2/h8-13,20-22,31-32H,14-19,23H2,1-7H3
InChIKey: NUOHHDAPZZRIHO-UHFFFAOYSA-N
Source
Properties Information
Molecule Weight: 682.8140000000002
TPSA？: 80.32000000000001
MolLogP？: 6.7940000000000085
Number of H-Donors: 0
Number of H-Acceptors: 10
RingCount: 7
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|