Isocorydine
AlkaPlorer ID: AK005611
Synonym: None
IUPAC Name: (6aS)-1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
Structure
SMILES: COC1=CC=C2C[C@H]3C4=C(C=C(OC)C(OC)=C4C2=C1O)CCN3C
InChI: InChI=1S/C20H23NO4/c1-21-8-7-12-10-15(24-3)20(25-4)18-16(12)13(21)9-11-5-6-14(23-2)19(22)17(11)18/h5-6,10,13,22H,7-9H2,1-4H3/t13-/m0/s1
InChIKey: QELDJEKNFOQJOY-ZDUSSCGKSA-N
Reference
Aporphine Alkaloids of Ocotea brenesii
PubChem CID: 10143
CAS: 13552-72-2
LOTUS: LTS0116123
NPASS: NPC205421
data_source: manually
Source
Properties Information
Molecule Weight: 341.4070000000001
TPSA？: 51.16
MolLogP？: 3.170100000000001
Number of H-Donors: 1
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Bacillus anthracis | Anthrax lethal factor | Potency | 12589.3 | nM | None |
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 50.13 | ug.mL-1 | 10.1007/s00044-011-9767-1 |
| Entamoeba histolytica | Entamoeba histolytica | IC50 | 147000.0 | nM | 10.1021/np000144r |
| Escherichia coli K-12 | Beta-lactamase AmpC | Potency | 50118.7 | nM | None |
| Homo sapiens | Cyclin-dependent kinase 2 | IC50 | 50000.0 | nM | 10.1016/j.bmcl.2010.01.007 |
| Homo sapiens | Cytochrome P450 1A2 | AC50 | 10000.0 | nM | None |
| Homo sapiens | Cytochrome P450 2C19 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 2C9 | Potency | 12589.3 | nM | None |
| Homo sapiens | Cytochrome P450 2D6 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | AC50 | nan | None | None |
| Homo sapiens | Cytochrome P450 3A4 | Potency | 25118.9 | nM | None |
| Homo sapiens | Endoplasmic reticulum-associated amyloid beta-peptide-binding protein | Potency | 39810.7 | nM | None |
| Homo sapiens | Geminin | Potency | 1584.9 | nM | None |
| Homo sapiens | Glutaminase kidney isoform, mitochondrial | Potency | 10000.0 | nM | None |
| Homo sapiens | HeLa | IC50 | 200000.0 | nM | 10.1016/j.bmc.2017.10.027 |
| Homo sapiens | HepG2 | IC50 | 200000.0 | nM | 10.1016/j.bmc.2017.10.027 |
| Homo sapiens | Isocitrate dehydrogenase [NADP] cytoplasmic | Potency | 11582.1 | nM | None |
| Homo sapiens | KB | IC50 | 733000.0 | nM | 10.1021/np000144r |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 12589.3 | nM | None |
| Homo sapiens | Lysine-specific demethylase 4D-like | Potency | 35481.3 | nM | None |
| Homo sapiens | MGC-803 | IC50 | 200000.0 | nM | 10.1016/j.bmc.2017.10.027 |
| Homo sapiens | Runt-related transcription factor 1/Core-binding factor subunit beta | Potency | 8912.5 | nM | None |
| Homo sapiens | Solute carrier organic anion transporter family member 1B1 | Inhibition | 115.22 | % | 10.1124/mol.112.084152 |
| Homo sapiens | Solute carrier organic anion transporter family member 1B3 | Inhibition | 102.14 | % | 10.1124/mol.112.084152 |
| Homo sapiens | Ubiquitin carboxyl-terminal hydrolase 1 | Potency | 35481.3 | nM | None |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 1.9 | ug.mL-1 | 10.1021/np960195h |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 2.83 | ug.mL-1 | 10.1021/np960195h |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 37000.0 | nM | 10.1021/np000144r |
| Plasmodium falciparum | Plasmodium falciparum | Potency | 16511.3 | nM | None |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 19952.62 | nM | 10.6019/CHEMBL4651402 |
| Severe acute respiratory syndrome coronavirus 2 | SARS-CoV-2 | IC50 | 20000.0 | nM | 10.6019/CHEMBL4651402 |
| Staphylococcus aureus | Staphylococcus aureus | Activity | nan | None | 10.1021/np990639k |
| None | Unchecked | Potency | 7943.3 | nM | None |
| None | Unchecked | Potency | 39810.7 | nM | None |