(1S)-7-hydroxy-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-2-ium-2-olate
AlkaPlorer ID: AK423005
Synonym: None
IUPAC Name: (1S)-1-[(3-hydroxy-4-methoxyphenyl)methyl]-6-methoxy-2-methyl-2-oxido-3,4-dihydro-1H-isoquinolin-2-ium-7-ol
Structure
SMILES: COC1=CC=C(C[C@H]2C3=CC(O)=C(OC)C=C3CC[N+]2(C)[O-])C=C1O
InChI: InChI=1S/C19H23NO5/c1-20(23)7-6-13-10-19(25-3)17(22)11-14(13)15(20)8-12-4-5-18(24-2)16(21)9-12/h4-5,9-11,15,21-22H,6-8H2,1-3H3/t15-,20?/m0/s1
InChIKey: JLMWCKYUUMRSRK-OOJLDXBWSA-N
Reference
Constituents of Pachygone ovata and Pharmacological Action of its Major Leaf Alkaloid
PubChem CID: 13020032
LOTUS: LTS0204503
Source
| Species | Genus | Family | Order | Class | Phylum | Kingdom | Domain |
|---|---|---|---|---|---|---|---|
| Pachygone ovata | Pachygone | Menispermaceae | Ranunculales | Magnoliopsida | Streptophyta | Viridiplantae | Eukaryota |
Properties Information
Molecule Weight: 345.3950000000001
TPSA？: 81.98
MolLogP？: 2.899300000000001
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 3
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Homo sapiens | Glutaminase kidney isoform, mitochondrial | Potency | 35481.3 | nM | None |
| Homo sapiens | GTP-binding nuclear protein Ran/Importin subunit beta-1/Snurportin-1 | Potency | 2909.3 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 28183.8 | nM | None |
| Homo sapiens | Lysosomal alpha-glucosidase | Potency | 1764.7 | nM | None |
| Homo sapiens | Microtubule-associated protein tau | Potency | 19952.6 | nM | None |
| Homo sapiens | Mothers against decapentaplegic homolog 3 | Potency | 1122.0 | nM | None |
| Homo sapiens | Prenyl protein specific protease | AC50 | 2800.0 | nM | None |
| Homo sapiens | Relaxin receptor 1 | Potency | 35481.3 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 20596.2 | nM | None |
| Homo sapiens | Tyrosyl-DNA phosphodiesterase 1 | Potency | 23109.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 11689.1 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 18526.0 | nM | None |
| Rattus norvegicus | Thioredoxin reductase 1, cytoplasmic | Potency | 28183.8 | nM | None |
| Saccharomyces cerevisiae S288c | CAAX prenyl protease 2 | AC50 | 7823.0 | nM | None |
| Schistosoma mansoni | Thioredoxin glutathione reductase | Potency | 17782.8 | nM | None |
| Sus scrofa | Trypsin | AC50 | 13870.0 | nM | None |
| None | Unchecked | IC50 | 34200.0 | nM | None |
| None | Unchecked | Potency | 3548.1 | nM | None |
| None | Unchecked | Potency | 8912.5 | nM | None |
| None | Unchecked | Potency | 11220.2 | nM | None |