6,7-Dihydroxy-1-methylisoquinoline; 3,4-Dihydro, di-Me ether
AlkaPlorer ID: AK048069
Synonym: 3,4-Dihydro-6,7-dimethoxy-1-methylisoquinoline, Dehydrosalsolidine
IUPAC Name: 6,7-dimethoxy-1-methyl-3,4-dihydroisoquinoline
Structure
SMILES: COC1=CC2=C(C=C1OC)C(C)=NCC2
InChI: InChI=1S/C12H15NO2/c1-8-10-7-12(15-3)11(14-2)6-9(10)4-5-13-8/h6-7H,4-5H2,1-3H3
InChIKey: VASUQTGZAPZKFK-UHFFFAOYSA-N
Reference
Search for new alkaloids in Pachycereus weberi by tandem mass spectrometry
PubChem CID: 22652
CAS: 105285-21-0
LOTUS: LTS0057057
SuperNatural Ⅲ: SN0385270
COCONUT: CNP0247590
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Carnegiea gigantea | Carnegiea | Cactaceae | Caryophyllales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 205.25699999999995
TPSA？: 30.82
MolLogP？: 2.0689
Number of H-Donors: 0
Number of H-Acceptors: 3
RingCount: 2
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Equus caballus | Ferritin light chain | Potency | 28183.8 | nM | None |
| Homo sapiens | Aldehyde dehydrogenase 1A1 | Potency | 28183.8 | nM | None |
| Homo sapiens | BJ | EC50 | 13020.8 | nM | 10.1016/j.bmcl.2012.05.124 |
| Homo sapiens | Chromobox protein homolog 1 | Potency | 100000.0 | nM | None |
| Homo sapiens | Flap endonuclease 1 | Potency | 3162.3 | nM | None |
| Homo sapiens | Guanine nucleotide-binding protein G(s), subunit alpha | Potency | 11220.2 | nM | None |
| Homo sapiens | HEK293 | EC50 | 13020.8 | nM | 10.1016/j.bmcl.2012.05.124 |
| Homo sapiens | HepG2 | EC50 | 13020.8 | nM | 10.1016/j.bmcl.2012.05.124 |
| Homo sapiens | Histone acetyltransferase GCN5 | Potency | 39810.7 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 31622.8 | nM | None |
| Homo sapiens | Lysosomal alpha-glucosidase | Potency | 35481.3 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 22387.2 | nM | None |
| Homo sapiens | Monoamine oxidase A | Ki | 4000.0 | nM | 10.1021/jm00163a025 |
| Homo sapiens | Monoamine oxidase B | Ki | nan | nM | 10.1021/jm00163a025 |
| Homo sapiens | Muscleblind-like protein 1 | Potency | 25118.9 | nM | None |
| Homo sapiens | Raji | EC50 | 13020.8 | nM | 10.1016/j.bmcl.2012.05.124 |
| Homo sapiens | Sphingomyelin phosphodiesterase | Potency | 31622.8 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 16360.1 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | EC50 | 7507.5 | nM | 10.1016/j.bmcl.2012.05.124 |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 2.9 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 25118.9 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 28183.8 | nM | None |
| None | Unchecked | Potency | 707.9 | nM | None |