Isothalirine
AlkaPlorer ID: AK063485
Synonym: ''
IUPAC Name: (1R)-7-[5-[[(1S)-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl]methyl]-2,3-dimethoxyphenoxy]-1-[(3,4-dimethoxyphenyl)methyl]-5,6-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Structure
SMILES: COC1=CC=C(C[C@@H]2C3=C(CCN2C)C(OC)=C(OC)C(OC2=CC(C[C@H]4C5=CC(OC)=C(OC)C=C5CCN4C)=CC(OC)=C2OC)=C3)C=C1OC
InChI: InChI=1S/C42H52N2O9/c1-43-15-13-27-22-35(47-5)36(48-6)23-29(27)31(43)18-26-20-37(49-7)41(51-9)38(21-26)53-39-24-30-28(40(50-8)42(39)52-10)14-16-44(2)32(30)17-25-11-12-33(45-3)34(19-25)46-4/h11-12,19-24,31-32H,13-18H2,1-10H3/t31-,32+/m0/s1
InChIKey: QAQKPFYSONCQAR-AJQTZOPKSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Isopyrum thalictroides | Isopyrum | Ranunculaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 728.883
TPSA？: 89.55000000000001
MolLogP？: 7.091100000000008
Number of H-Donors: 0
Number of H-Acceptors: 11
RingCount: 6
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|