1-Hydroxy-2-methoxyaporphine hydrobromide
AlkaPlorer ID: AK002988
Synonym: '', '(-)-Lirinidine', 'Lirinidine', '1-Hydroxy-2-methoxyaporphine hydrochloride', 'Lirinidine hydrochloride'
IUPAC Name: (6aR)-2-methoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-1-ol
Structure
SMILES: COC1=CC2=C3C(=C1O)C1=CC=CC=C1C[C@H]3N(C)CC2
InChI: InChI=1S/C18H19NO2/c1-19-8-7-12-10-15(21-2)18(20)17-13-6-4-3-5-11(13)9-14(19)16(12)17/h3-6,10,14,20H,7-9H2,1-2H3/t14-/m1/s1
InChIKey: YXVXMURDCBMPRH-CQSZACIVSA-N
Reference
Alcaloïdes des Annonacees LXXII, Alcaloïdes du Guatteria sagotiana
PubChem CID: 821343
LOTUS: LTS0271067
SuperNatural Ⅲ: SN0463202-02
NPASS: NPC166014
Source
Properties Information
Molecule Weight: 281.3550000000001
TPSA？: 32.7
MolLogP？: 3.1529000000000007
Number of H-Donors: 1
Number of H-Acceptors: 3
RingCount: 4
Activities Information
| Organism | Target Name | Standard Type | Standard Value | Standard Units | doi |
|---|---|---|---|---|---|
| None | ADMET | Inhibition | 39.7 | % | 10.1016/j.bmc.2012.11.038 |
| None | ADMET | Inhibition | 86.0 | % | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | IC50 | 19300.0 | nM | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | Inhibition | -2.6 | % | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | Inhibition | 11.1 | % | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | Inhibition | 27.3 | % | 10.1016/j.bmc.2012.11.038 |
| None | Unchecked | Inhibition | 65.9 | % | 10.1016/j.bmc.2012.11.038 |