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1-O-Acetyllycorine

AlkaPlorer ID: AK025199

Synonym: '', '1-O-Acetyllycorine'

IUPAC Name: [(1S,17S,18S,19S)-17-hydroxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-18-yl] acetate

Structure

SMILES: CC(=O)O[C@H]1[C@H]2C3=CC4=C(C=C3CN3CCC(=C[C@@H]1O)[C@H]23)OCO4

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InChI: InChI=1S/C18H19NO5/c1-9(20)24-18-13(21)4-10-2-3-19-7-11-5-14-15(23-8-22-14)6-12(11)16(18)17(10)19/h4-6,13,16-18,21H,2-3,7-8H2,1H3/t13-,16-,17+,18+/m0/s1

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InChIKey: BIGUPJIJZYZJMV-VIBAHUMZSA-N

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Reference

Alkaloids from Crinum lugardiae

PubChem CID: 443672

LOTUS: LTS0193029

SuperNatural Ⅲ: SN0026301-01

NPASS: NPC237044

Properties Information

Molecule Weight: 329.35200000000003

TPSA？: 68.23

MolLogP？: 1.3193999999999997

Number of H-Donors: 1

Number of H-Acceptors: 6

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Dengue virus Dengue virus EC50 400.0 nM 10.1016/j.ejmech.2019.05.010
dengue virus type 2 dengue virus type 2 EC50 400.0 nM 10.1021/acs.jmedchem.5b01653
Edwardsiella ictaluri Edwardsiella ictaluri MIC 33.0 ug.mL-1 10.1016/j.bmcl.2017.09.052
Flavobacterium columnare Flavobacterium columnare MIC 3.3 ug.mL-1 10.1016/j.bmcl.2017.09.052
Homo sapiens A549 GI50 3000.0 nM 10.1016/j.bmc.2011.09.051
Homo sapiens A549 IC50 10000.0 nM 10.1021/jm901031h
Homo sapiens Acetylcholinesterase IC50 960.0 nM 10.1021/np0702077
Homo sapiens Acetylcholinesterase Ki 430.0 nM 10.1016/j.bmcl.2010.06.130
Homo sapiens Cytochrome P450 3A4 Ki 7600.0 nM 10.1016/j.bmcl.2009.04.086
Homo sapiens Cytochrome P450 3A4 Ki 7943.28 nM 10.1016/j.bmcl.2009.04.086
Homo sapiens MCF7 GI50 4000.0 nM 10.1016/j.bmc.2011.09.051
Homo sapiens MRC5 IC50 1.29 ug.mL-1 10.1016/j.bmc.2008.10.061
Homo sapiens PC-3 GI50 3000.0 nM 10.1016/j.bmc.2011.09.051
Homo sapiens SK-MEL-28 GI50 3000.0 nM 10.1016/j.bmc.2011.09.051
Homo sapiens SK-MEL-28 IC50 10000.0 nM 10.1021/jm901031h
Homo sapiens T98G GI50 2000.0 nM 10.1016/j.bmc.2011.09.051
Mus musculus B16-F10 GI50 43000.0 nM 10.1016/j.bmc.2011.09.051
Mus musculus B16-F10 IC50 10000.0 nM 10.1021/jm901031h
Plasmodium falciparum Plasmodium falciparum IC50 0.3 ug.mL-1 10.1016/j.bmc.2008.10.061
Plasmodium falciparum Plasmodium falciparum IC50 0.36 ug.mL-1 10.1016/j.bmc.2008.10.061
Plasmodium falciparum Plasmodium falciparum IC50 900.0 nM 10.1016/j.bmc.2010.05.023
Staphylococcus aureus Staphylococcus aureus MIC 33.0 ug.mL-1 10.1016/j.bmcl.2017.09.052
Trypanosoma brucei brucei Trypanosoma brucei brucei IC50 5.22 ug.mL-1 10.1016/j.bmc.2008.10.061
None NON-PROTEIN TARGET GI50 4000.0 nM 10.1016/j.bmc.2011.09.051
None NON-PROTEIN TARGET GI50 11000.0 nM 10.1016/j.bmc.2011.09.051
None NON-PROTEIN TARGET IC50 10000.0 nM 10.1021/jm901031h
None Unchecked Ratio CC50/EC50 750.0 None 10.1021/acs.jmedchem.5b01653
None Unchecked Ratio IC50 0.2 None 10.1016/j.bmc.2008.10.061
None Unchecked Ratio IC50 3.6 None 10.1016/j.bmc.2008.10.061
None Unchecked Ratio IC50 4.3 None 10.1016/j.bmc.2008.10.061

Metabolism Information