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(-)-8-Oxotetrahydropalmatine

AlkaPlorer ID: AK001121

Synonym: ''

IUPAC Name: (13aS)-2,3,9,10-tetramethoxy-5,6,13,13a-tetrahydroisoquinolino[2,1-b]isoquinolin-8-one

Structure

SMILES: COC1=C(OC)C=C2C(=C1)CCN1C(=O)C3=C(OC)C(OC)=CC=C3C[C@@H]21

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InChI: InChI=1S/C21H23NO5/c1-24-16-6-5-13-9-15-14-11-18(26-3)17(25-2)10-12(14)7-8-22(15)21(23)19(13)20(16)27-4/h5-6,10-11,15H,7-9H2,1-4H3/t15-/m0/s1

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InChIKey: DMFHLLHXYQJPJS-HNNXBMFYSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
Pericampylus glaucus Pericampylus Menispermaceae Ranunculales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 369.4170000000001

TPSA？: 57.23

MolLogP？: 3.016700000000002

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Hepatitis B virus Hepatitis B virus IC50 140000.0 nM 10.1021/np070479+
Hepatitis B virus Hepatitis B virus IC50 7470000.0 nM 10.1021/np070479+
Homo sapiens A549 IC50 nan None 10.1021/np900207z
Homo sapiens C8166 CC50 307000.0 nM 10.1021/np070479+
Homo sapiens MCF7 IC50 nan None 10.1021/np900207z
Human immunodeficiency virus 1 Human immunodeficiency virus 1 EC50 14100.0 nM 10.1021/np070479+
None ADMET CC50 3000000.0 nM 10.1021/np070479+
None Unchecked Ratio CC50/EC50 18.8 None 10.1021/np070479+
None Unchecked Ratio CC50/IC50 1.0 None 10.1021/np070479+
None Unchecked Ratio CC50/IC50 22.4 None 10.1021/np070479+

Metabolism Information