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(-)-Montanine

AlkaPlorer ID: AK047815

Synonym: ''

IUPAC Name: (1S,13S,15S,16S)-16-methoxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.013,18]nonadeca-2,4(8),9,17-tetraen-15-ol

Structure

SMILES: CO[C@H]1C=C2[C@H]3CN(CC4=CC5=C(C=C43)OCO5)[C@H]2C[C@@H]1O

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InChI: InChI=1S/C17H19NO4/c1-20-15-4-11-12-7-18(13(11)5-14(15)19)6-9-2-16-17(3-10(9)12)22-8-21-16/h2-4,12-15,19H,5-8H2,1H3/t12-,13-,14-,15-/m0/s1

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InChIKey: MKYLOMHWHWEFCT-AJNGGQMLSA-N

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Properties Information

Molecule Weight: 301.34200000000004

TPSA？: 51.16

MolLogP？: 1.4027

Number of H-Donors: 1

Number of H-Acceptors: 5

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Electrophorus electricus Acetylcholinesterase IC50 200000.0 nM 10.1021/acs.jnatprod.5b00785
Equus caballus Cholinesterase IC50 200000.0 nM 10.1021/acs.jnatprod.5b00785
Escherichia coli Escherichia coli MIC 5.0 ug 10.1016/j.bmcl.2017.09.052
Homo sapiens Acetylcholinesterase IC50 100000.0 nM 10.1016/j.bmcl.2021.128374
Homo sapiens Acetylcholinesterase Inhibition 13.7 % 10.1016/j.bmcl.2021.128374
Homo sapiens Acetylcholinesterase Ki nan None 10.1016/j.bmcl.2010.06.130
Homo sapiens Butyrylcholinesterase IC50 100000.0 nM 10.1016/j.bmcl.2021.128374
Homo sapiens Butyrylcholinesterase Inhibition 8.4 % 10.1016/j.bmcl.2021.128374
Pseudomonas aeruginosa Pseudomonas aeruginosa MIC 20.0 ug 10.1016/j.bmcl.2017.09.052
Staphylococcus aureus Staphylococcus aureus MIC 5.0 ug 10.1016/j.bmcl.2017.09.052
Staphylococcus epidermidis Staphylococcus epidermidis MIC 15.0 ug 10.1016/j.bmcl.2017.09.052
Trichomonas vaginalis Trichomonas vaginalis Activity 35.0 % 10.1016/j.bmcl.2019.126642

Metabolism Information