Molecule

1,2,3,4-Tetrahydro-6,7-dimethoxy-1-methylisoquinoline; (±)-form, N-Me

AlkaPlorer ID: AK094516

Synonym: 1,2,3,4-Tetrahydro-6,7-dimethoxy-1,2-dimethylisoquinoline, Carnegine, Pectenine, N-Methylsalsolidine

IUPAC Name: 6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinoline

SMILES: COC1=CC2=C(C=C1OC)C(C)N(C)CC2

InChI: InChI=1S/C13H19NO2/c1-9-11-8-13(16-4)12(15-3)7-10(11)5-6-14(9)2/h7-9H,5-6H2,1-4H3

InChIKey: HRSIPKSSEVRSPG-UHFFFAOYSA-N

PubChem CID: 22646

CAS: 490-53-9

LOTUS: LTS0045957

COCONUT: CNP0222616.4

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Haloxylon salicornicum	Haloxylon	Chenopodiaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Cereus	Sagartiidae	Actiniaria	Anthozoa	Cnidaria	Metazoa	Eukaryota
Carnegiea gigantea	Carnegiea	Cactaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Haloxylon	Chenopodiaceae	Caryophyllales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
None	Cereus	Sagartiidae	Actiniaria	Anthozoa	Cnidaria	Metazoa	Eukaryota

Molecule Weight: 221.29999999999995

TPSA？: 21.700000000000003

MolLogP？: 2.2527

Number of H-Donors: 0

Number of H-Acceptors: 3

RingCount: 2

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	ECa-109 cell line	Activity	91.1	%	10.1021/acs.jmedchem.2c02061
Homo sapiens	ECa-109 cell line	FC	2.6	None	10.1021/acs.jmedchem.2c02061
Homo sapiens	ECa-109 cell line	IC50	2605.0	nM	10.1021/acs.jmedchem.2c02061

AKRT ID	Reaction	Reaction Link ID
AKRT014570	C[SAH].COc1cc2c(cc1OC)[C@H](C)NCC2>>COc1cc2c(cc1OC)C(C)N(C)CC2	enzymemap_27464