1,2,3,4-Tetrahydro-6,7-dihydroxyisoquinoline; Di-Me ether
AlkaPlorer ID: AK025009
Synonym: 1,2,3,4-Tetrahydro-6,7-dimethoxyisoquinoline, Heliamine
IUPAC Name: 6,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
Structure
SMILES: COC1=CC2=C(C=C1OC)CNCC2
InChI: InChI=1S/C11H15NO2/c1-13-10-5-8-3-4-12-7-9(8)6-11(10)14-2/h5-6,12H,3-4,7H2,1-2H3
InChIKey: CEIXWJHURKEBMQ-UHFFFAOYSA-N
Reference
Cactus Alkaloids. XLVI. 3-Methoxytyramine and Lemaireocereine From Backebergia militaris
PubChem CID: 15623
CAS: 1745-07-9
LOTUS: LTS0062875
SuperNatural Ⅲ: SN0043461
NPASS: NPC160692
COCONUT: CNP0138269
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachycereus weberi | Pachycereus | Cactaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Pachycereus pringlei | Pachycereus | Cactaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
| Pachycereus pecten-aboriginum | Pachycereus | Cactaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 193.24599999999995
TPSA？: 30.49
MolLogP？: 1.3495
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Monoamine oxidase B | Activity | 96.0 | % | 10.1021/acsmedchemlett.2c00228 |
| Mus musculus | Monoamine oxidase A | IC50 | 100000.0 | nM | 10.1021/acsmedchemlett.2c00228 |
| Mus musculus | Monoamine oxidase B | IC50 | 1000000.0 | nM | 10.1021/acsmedchemlett.2c00228 |
| Rattus norvegicus | GABA-A receptor; anion channel | Ki | 100000.0 | nM | 10.1021/jm00351a015 |