Salsolidine

AlkaPlorer ID: AK008449

Synonym: None

IUPAC Name: (1S)-6,7-dimethoxy-1-methyl-1,2,3,4-tetrahydroisoquinoline

Structure

SMILES: COC1=CC2=C(C=C1OC)[C@H](C)NCC2

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InChI: InChI=1S/C12H17NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-8,13H,4-5H2,1-3H3/t8-/m0/s1

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InChIKey: HMYJLVDKPJHJCF-QMMMGPOBSA-N

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Source

Properties Information

Molecule Weight: 207.273

TPSA: 30.49

MolLogP: 1.9105

Number of H-Donors: 1

Number of H-Acceptors: 3

RingCount: 2

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Electrophorus electricus Acetylcholinesterase Inhibition -3.39 % 10.1016/j.bmc.2012.09.040
Equus caballus Cholinesterase Inhibition -4.57 % 10.1016/j.bmc.2012.09.040
Homo sapiens Cytochrome P450 1A2 AC50 nan None None
Homo sapiens Cytochrome P450 2C19 AC50 nan None None
Homo sapiens Cytochrome P450 2C9 AC50 nan None None
Homo sapiens Cytochrome P450 2D6 AC50 nan None None
Homo sapiens Cytochrome P450 3A4 AC50 nan None None
Homo sapiens Histone acetyltransferase GCN5 Potency 11220.2 nM None
Homo sapiens Solute carrier organic anion transporter family member 1B1 Inhibition 117.33 % 10.1124/mol.112.084152
Homo sapiens Solute carrier organic anion transporter family member 1B3 Inhibition 93.8 % 10.1124/mol.112.084152
Homo sapiens Thyroid stimulating hormone receptor Potency 15848.9 nM None

Metabolism Information

AKRT ID Reaction Reaction Link ID
AKRT011686 COc1cc2c(cc1OC)C(C)=NCC2>>COc1cc2c(cc1OC)[C@H](C)NCC2 retrobiocat_274
AKRT014570 C[SAH].COc1cc2c(cc1OC)[C@H](C)NCC2>>COc1cc2c(cc1OC)C(C)N(C)CC2 enzymemap_27464