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Oxymatrine

AlkaPlorer ID: AK325334

Synonym: None

IUPAC Name: (1R,2R,9S,17S)-13-oxido-7-aza-13-azoniatetracyclo[7.7.1.02,7.013,17]heptadecan-6-one

Structure

SMILES: O=C1CCC[C@@H]2[C@H]3CCC[N+]4([O-])CCC[C@@H](CN12)[C@@H]34

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InChI: InChI=1S/C15H24N2O2/c18-14-7-1-6-13-12-5-3-9-17(19)8-2-4-11(15(12)17)10-16(13)14/h11-13,15H,1-10H2/t11-,12+,13+,15-,17?/m0/s1

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InChIKey: XVPBINOPNYFXID-LHDUFFHYSA-N

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Properties Information

Molecule Weight: 264.3689999999999

TPSA？: 43.37

MolLogP？: 1.8843

Number of H-Donors: 0

Number of H-Acceptors: 2

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Canis lupus familiaris MDCK CC50 80000.0 nM 10.1021/ml500236n
Coxsackievirus B3 Coxsackievirus B3 Inhibition nan % 10.1021/acs.jnatprod.5b00325
Enterovirus A71 Enterovirus A71 Activity nan None 10.1016/j.bmcl.2015.06.097
Hepatitis B virus Hepatitis B virus Activity 15.8 % 10.1016/j.bmcl.2005.11.073
Hepatitis B virus Hepatitis B virus Activity 17.1 % 10.1016/j.bmcl.2005.11.073
Hepatitis B virus Hepatitis B virus Activity 35.3 % 10.1016/j.bmcl.2005.11.073
Hepatitis B virus Hepatitis B virus Activity 39.7 % 10.1016/j.bmcl.2005.11.073
Hepatitis B virus Hepatitis B virus Activity 54.0 % 10.1128/aac.01764-09
Hepatitis B virus Hepatitis B virus Activity 56.0 % 10.1016/j.bmcl.2011.06.071
Hepatitis B virus Hepatitis B virus Activity 60.0 % 10.1128/aac.01764-09
Hepatitis B virus Hepatitis B virus Activity nan None 10.1128/aac.01764-09
Hepatitis B virus Hepatitis B virus EC50 31.0 ug.mL-1 10.1128/aac.01764-09
Hepatitis B virus Hepatitis B virus Inhibition 20.3 % 10.1021/acs.jnatprod.8b00576
Hepatitis B virus Hepatitis B virus Inhibition 38.3 % 10.1021/acs.jnatprod.8b00576
Hepatitis B virus Hepatitis B virus Inhibition 43.0 % 10.1128/aac.01764-09
Hepatitis B virus Hepatitis B virus Inhibition 62.0 % 10.1128/aac.01764-09
Hepatitis B virus Hepatitis B virus Inhibition 75.0 % 10.1128/aac.01764-09
Hepatitis B virus Hepatitis B virus log10cfu 1.5 None 10.1128/aac.01764-09
Homo sapiens Blood T1/2 2.4 hr 10.1128/aac.01764-09
Homo sapiens Chromobox protein homolog 1 Potency 100000.0 nM None
Homo sapiens Guanine nucleotide-binding protein G(s), subunit alpha Potency 5011.9 nM None
Homo sapiens HepG2 Activity 25.0 % 10.1016/j.bmcl.2005.11.073
Homo sapiens HepG2 Activity nan None 10.1128/aac.01764-09
Homo sapiens HepG2 2.2.15 GI 25.0 % 10.1021/acs.jnatprod.8b00576
Homo sapiens HepG2 2.2.15 Inhibition 50.0 % 10.1128/aac.01764-09
Homo sapiens HepG2 2.2.15 Inhibition 52.0 % 10.1016/j.bmcl.2011.06.071
Homo sapiens HepG2 2.2.15 Inhibition 55.0 % 10.1021/jm101325h
Homo sapiens Histone deacetylase 6 Inhibition -13.59 % 10.6019/CHEMBL4808148
Homo sapiens Histone deacetylase 6 Inhibition -7.44 % 10.6019/CHEMBL4808148
Homo sapiens Pyruvate kinase isozymes M1/M2 IC50 5000.0 nM 10.1021/acs.jmedchem.1c00981
Influenza A virus Influenza A virus EC50 80000.0 nM 10.1021/ml500236n
Influenza A virus Influenza A virus Inhibition nan % 10.1021/acs.jnatprod.5b00325
Mus musculus Monoamine oxidase A Activity nan None 10.1021/jm800656v
Mus musculus Mus musculus Activity nan None 10.1016/j.bmcl.2015.06.097
Plasmodium falciparum Plasmodium falciparum Potency 1852.6 nM None
Rattus norvegicus TGF-beta receptor type-1 Inhibition nan % 10.1021/acs.jmedchem.9b00708
None ADMET Activity nan None 10.1128/aac.01764-09
None ADMET MTT 3.12 mg/ml 10.1128/aac.01764-09
None ADMET Ratio CC50/IC50 100.0 None 10.1128/aac.01764-09
None Molecular identity unknown Activity 50.0 % 10.1128/aac.01764-09
None Molecular identity unknown Activity nan None 10.1016/j.bmcl.2011.06.071
None Molecular identity unknown Activity nan None 10.1128/aac.01764-09
None NON-PROTEIN TARGET Potency 0.7 nM None
None NON-PROTEIN TARGET Potency 10583.9 nM None
None NON-PROTEIN TARGET Potency 21117.7 nM None
None Unchecked Potency 2818.4 nM None

Metabolism Information