(1S)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
AlkaPlorer ID: AK151703
Synonym: None
IUPAC Name: (1R)-1-[2-(3,4-dimethoxyphenyl)ethyl]-6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinoline
Structure
SMILES: COC1=CC=C(CC[C@@H]2C3=CC(OC)=C(OC)C=C3CCN2C)C=C1OC
InChI: InChI=1S/C22H29NO4/c1-23-11-10-16-13-21(26-4)22(27-5)14-17(16)18(23)8-6-15-7-9-19(24-2)20(12-15)25-3/h7,9,12-14,18H,6,8,10-11H2,1-5H3/t18-/m1/s1
InChIKey: AECKSTRRHRODOS-GOSISDBHSA-N
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
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Properties Information
Molecule Weight: 371.4770000000002
TPSA？: 40.16
MolLogP？: 3.882800000000003
Number of H-Donors: 0
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | Molecular identity unknown | Activity | -6.7 | % | 10.1021/np50054a004 |
| None | Molecular identity unknown | Activity | 16.3 | % | 10.1021/np50054a004 |