Laurotetanine
AlkaPlorer ID: AK011197
Synonym: None
IUPAC Name: (6aS)-1,2,10-trimethoxy-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-ol
Structure
SMILES: COC1=CC2=C(C=C1O)C[C@@H]1NCCC3=CC(OC)=C(OC)C2=C31
InChI: InChI=1S/C19H21NO4/c1-22-15-9-12-11(7-14(15)21)6-13-17-10(4-5-20-13)8-16(23-2)19(24-3)18(12)17/h7-9,13,20-21H,4-6H2,1-3H3/t13-/m0/s1
InChIKey: GVVXPMORGFYVOO-ZDUSSCGKSA-N
Reference
PubChem CID: 31415
CAS: 128-76-7
LOTUS: LTS0258805
SuperNatural Ⅲ: SN0116701-02
NPASS: NPC69712
Source
Properties Information
Molecule Weight: 327.3800000000001
TPSA？: 59.95
MolLogP？: 2.8279000000000014
Number of H-Donors: 2
Number of H-Acceptors: 5
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| Chlorocebus sabaeus | Vero | CC50 | 165000.0 | nM | 10.1021/np970382v |
| Chlorocebus sabaeus | Vero | MTC | 62.0 | uM | 10.1021/np970382v |
| Electrophorus electricus | Acetylcholinesterase | IC50 | nan | None | 10.1016/j.bmc.2016.07.043 |
| Electrophorus electricus | Acetylcholinesterase | Inhibition | 17.51 | % | 10.1016/j.bmc.2016.07.043 |
| Equus caballus | Cholinesterase | IC50 | nan | None | 10.1016/j.bmc.2016.07.043 |
| Equus caballus | Cholinesterase | Inhibition | 22.58 | % | 10.1016/j.bmc.2016.07.043 |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 2.53 | ug.mL-1 | 10.1021/np960195h |
| Plasmodium falciparum | Plasmodium falciparum | IC50 | 3.9 | ug.mL-1 | 10.1021/np960195h |
| Poliovirus 2 | Poliovirus 2 | Activity | 0.5 | None | 10.1021/np970382v |
| Poliovirus 2 | Poliovirus 2 | Activity | 1.0 | None | 10.1021/np970382v |
| Poliovirus 2 | Poliovirus 2 | Activity | 1.5 | None | 10.1021/np970382v |
| Poliovirus 2 | Poliovirus 2 | ED50 | 31.0 | uM | 10.1021/np970382v |
| None | Unchecked | Ratio | 5.3 | None | 10.1021/np970382v |