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1,2,9,10-Tetrahydroxyaporphine; (S)-form, Tetra-Me ether 

AlkaPlorer ID: AK315501

Synonym: 1,2,9,10-Tetramethoxyaporphine, Glaucine

IUPAC Name: 1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinoline

Structure

SMILES: COC1=C(OC)C=C2C(=C1)CC1C3=C2C(OC)=C(OC)C=C3CCN1C

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InChI: InChI=1S/C21H25NO4/c1-22-7-6-12-9-18(25-4)21(26-5)20-14-11-17(24-3)16(23-2)10-13(14)8-15(22)19(12)20/h9-11,15H,6-8H2,1-5H3

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InChIKey: RUZIUYOSRDWYQF-UHFFFAOYSA-N

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Properties Information

Molecule Weight: 355.43400000000014

TPSA？: 40.16

MolLogP？: 3.4731000000000023

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Escherichia coli K-12 Beta-lactamase AmpC Potency 50118.7 nM None
Giardia intestinalis Putative fructose-1,6-bisphosphate aldolase Potency 177.4 nM None
Homo sapiens Aldehyde dehydrogenase 1A1 Potency 39810.7 nM None
Homo sapiens ATPase family AAA domain-containing protein 5 Potency 8199.5 nM None
Homo sapiens Caspase-3 IC50 907.0 nM None
Homo sapiens DNA polymerase iota Potency 11220.2 nM None
Homo sapiens DNA repair protein RAD52 homolog AC50 2140.0 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 25118.9 nM None
Homo sapiens Endoplasmic reticulum-associated amyloid beta-peptide-binding protein Potency 39810.7 nM None
Homo sapiens Geminin Potency 1032.3 nM None
Homo sapiens Lysine-specific demethylase 4D-like Potency 28183.8 nM None
Homo sapiens Microtubule-associated protein tau Potency 14125.4 nM None
Homo sapiens Muscleblind-like protein 1 Potency 15848.9 nM None
Homo sapiens Rap guanine nucleotide exchange factor 3 Potency 35481.3 nM None
Homo sapiens Sentrin-specific protease 6 IC50 1860.0 nM None
Homo sapiens Sentrin-specific protease 7 IC50 4630.0 nM None
Homo sapiens Sentrin-specific protease 8 IC50 5000.0 nM None
Homo sapiens Sentrin-specific protease 8 IC50 5470.0 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 18356.4 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 1 Potency 29092.9 nM None
Homo sapiens Tyrosyl-DNA phosphodiesterase 2 IC50 4598.0 nM None
Homo sapiens Ubiquitin carboxyl-terminal hydrolase 1 Potency 8912.5 nM None
Mycobacterium tuberculosis Protein RecA EC50 614.0 nM None
Mycobacterium tuberculosis Protein RecA IC90 40200.0 nM None
Mycobacterium tuberculosis Replicative DNA helicase AC50 549.7 nM None
Mycobacterium tuberculosis Replicative DNA helicase AC50 10340.0 nM None
Plasmodium falciparum Plasmodium falciparum Potency 4147.5 nM None
Plasmodium falciparum Plasmodium falciparum Potency 11689.1 nM None
Schistosoma mansoni Thioredoxin glutathione reductase Potency 39810.7 nM None
Severe acute respiratory syndrome coronavirus 2 Replicase polyprotein 1ab Inhibition 15.75 % 10.6019/CHEMBL4495564
Severe acute respiratory syndrome coronavirus 2 SARS-CoV-2 Inhibition -0.09 % 10.6019/CHEMBL4495565
Trypanosoma cruzi Cruzipain Potency 39810.7 nM None
None Unchecked CC50 40000.0 nM None
None Unchecked IC50 114670.0 nM None
None Unchecked Potency 16360.1 nM None

Metabolism Information