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Lycoricidine

AlkaPlorer ID: AK013437

Synonym: '', 'Lycoricidine', 'Margetine lycoricidine', 'LYCORICIDINE', 'MARGETINE', 'MLSMR', 'SMR001565429', 'DEOXYNARCICLASINE', 'B844009K069', 'MLS002701836'

IUPAC Name: (2S,3R,4S,4aR)-2,3,4-trihydroxy-3,4,4a,5-tetrahydro-2H-[1,3]dioxolo[4,5-j]phenanthridin-6-one

Structure

SMILES: OC1=N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)C2=CC3=C(C=C12)OCO3

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InChI: InChI=1S/C14H13NO6/c16-8-1-6-5-2-9-10(21-4-20-9)3-7(5)14(19)15-11(6)13(18)12(8)17/h1-3,8,11-13,16-18H,4H2,(H,15,19)/t8-,11+,12+,13-/m0/s1

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InChIKey: YYDLFVZOIDOGSO-KKBFJBPOSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain
None Pancratium Amaryllidaceae Asparagales Magnoliopsida Streptophyta Viridiplantae Eukaryota

Properties Information

Molecule Weight: 291.25900000000007

TPSA？: 111.74000000000002

MolLogP？: -0.4182000000000001

Number of H-Donors: 4

Number of H-Acceptors: 6

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
dengue virus type 4 dengue virus type 4 IC50 0.059 ug.mL-1 10.1021/np50089a003
Escherichia coli Escherichia coli IZ 12.0 mm 10.1016/j.bmcl.2017.09.052
Hepacivirus hominis Hepatitis C virus EC50 550.0 nM 10.1016/j.bmcl.2013.02.089
Homo sapiens BXPC-3 GI 0.12 ug ml-1 10.1021/np058068l
Homo sapiens BXPC-3 GI50 0.07 ug.mL-1 10.1021/np0304518
Homo sapiens DU-145 GI50 0.051 ug.mL-1 10.1021/np0304518
Homo sapiens DU-145 GI50 0.062 ug.mL-1 10.1021/np058068l
Homo sapiens Huh-7 Inhibition 83.1 % 10.1016/j.bmcl.2013.02.089
Homo sapiens Huh-7 Inhibition 91.4 % 10.1016/j.bmcl.2013.02.089
Homo sapiens KM-20L2 GI50 0.084 ug.mL-1 10.1021/np0304518
Homo sapiens KM-20L2 GI50 0.15 ug.mL-1 10.1021/np058068l
Homo sapiens MCF7 GI50 0.046 ug.mL-1 10.1021/np0304518
Homo sapiens MCF7 GI50 0.093 ug.mL-1 10.1021/np058068l
Homo sapiens NCI-H460 GI50 0.053 ug.mL-1 10.1021/np0304518
Homo sapiens NCI-H460 GI50 0.11 ug.mL-1 10.1021/np058068l
Homo sapiens SF-268 GI50 0.12 ug.mL-1 10.1021/np0304518
Japanese encephalitis virus Japanese encephalitis virus IC50 0.056 ug.mL-1 10.1021/np50089a003
Mus musculus P388 ED50 0.01 ug ml-1 10.1021/np058068l
Mus musculus P388 ED50 0.019 ug ml-1 10.1021/np0304518
Mus musculus P388 T/C 161.0 None 10.1021/np50048a005
Punta Toro virus Punta Toro virus IC50 0.042 ug.mL-1 10.1021/np50089a003
Rift Valley fever virus Rift Valley fever virus IC50 0.15 ug.mL-1 10.1021/np50089a003
Sandfly fever Sicilian virus Sandfly fever Sicilian virus IC50 0.058 ug.mL-1 10.1021/np50089a003
Staphylococcus aureus Staphylococcus aureus IZ 11.0 mm 10.1016/j.bmcl.2017.09.052
Yellow fever virus Yellow fever virus IC50 0.053 ug.mL-1 10.1021/np50089a003
None ADMET CC50 7200.0 nM 10.1016/j.bmcl.2013.02.089
None ADMET TI 4.2 None 10.1021/np50089a003
None ADMET TI 4.5 None 10.1021/np50089a003
None ADMET TI 4.9 None 10.1021/np50089a003
None ADMET TI 5.5 None 10.1021/np50089a003
None ADMET TI 5.6 None 10.1021/np50089a003
None ADMET TI 6.3 None 10.1021/np50089a003
None Molecular identity unknown Activity 6.0 % 10.1016/j.bmcl.2013.02.089
None Molecular identity unknown Activity 28.0 % 10.1016/j.bmcl.2013.02.089
None Molecular identity unknown FC 0.06 None 10.1016/j.bmcl.2013.02.089
None Molecular identity unknown FC 0.72 None 10.1016/j.bmcl.2013.02.089
None NON-PROTEIN TARGET ED50 0.02 ug ml-1 10.1021/np50048a005
None NON-PROTEIN TARGET GI50 0.047 ug.mL-1 10.1021/np058068l
None No relevant target Solubility 1000.0 ug.mL-1 10.1021/np0304518
None Unchecked Ratio CC50/EC50 12.72 None 10.1016/j.bmcl.2013.02.089

Metabolism Information