Isocorydine; (±)-form
AlkaPlorer ID: AK302786
Synonym: None
IUPAC Name: 1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-11-ol
Structure
SMILES: COC1=C(O)C2=C(C=C1)CC1C3=C(C=C(OC)C(OC)=C23)CCN1C
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
InChIKey: QELDJEKNFOQJOY-UHFFFAOYSA-N
Reference
PubChem CID: 48704
CAS: 55056-91-2
LOTUS: LTS0159238
NPASS: NPC137918
COCONUT: CNP0211797.2
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 |
|---|---|---|---|---|---|
| Acinetobacter baumannii | Acinetobacter baumannii | Inhibition | 2.34 | % | 10.6019/CHEMBL4296183 |
| Candida albicans | Candida albicans | Inhibition | -0.15 | % | 10.6019/CHEMBL4296183 |
| Cryptococcus neoformans | Cryptococcus neoformans | Inhibition | -10.21 | % | 10.6019/CHEMBL4296183 |
| Escherichia coli | Escherichia coli | Inhibition | 4.51 | % | 10.6019/CHEMBL4296183 |
| Homo sapiens | Serine hydroxymethyltransferase, mitochondrial | Inhibition | 69.3 | % | None |
| Klebsiella pneumoniae | Klebsiella pneumoniae | Inhibition | 6.13 | % | 10.6019/CHEMBL4296183 |
| Pseudomonas aeruginosa | Pseudomonas aeruginosa | Inhibition | 17.01 | % | 10.6019/CHEMBL4296183 |
| Staphylococcus aureus | Staphylococcus aureus | Inhibition | 23.71 | % | 10.6019/CHEMBL4296183 |