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Pseudolycorine

AlkaPlorer ID: AK002503

Synonym: None

IUPAC Name: (1S,14S,15S,16S)-5-methoxy-9-azatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,12-tetraene-4,14,15-triol

Structure

SMILES: COC1=CC2=C(C=C1O)[C@@H]1[C@H](O)[C@@H](O)C=C3CCN(C2)[C@H]31

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InChI: InChI=1S/C16H19NO4/c1-21-13-5-9-7-17-3-2-8-4-12(19)16(20)14(15(8)17)10(9)6-11(13)18/h4-6,12,14-16,18-20H,2-3,7H2,1H3/t12-,14-,15+,16+/m0/s1

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InChIKey: CKAHWDNDUGDSLE-ARLBYUKCSA-N

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Reference

Minor alkaloids from Lycoris sanguinea

PubChem CID: 443689

CAS: 29429-03-6

LOTUS: LTS0239638

SuperNatural Ⅲ: SN0047831-03

NPASS: NPC205167

data_source: manually

Properties Information

Molecule Weight: 289.331

TPSA？: 73.16

MolLogP？: 0.7341

Number of H-Donors: 3

Number of H-Acceptors: 5

RingCount: 4

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
dengue virus type 4 dengue virus type 4 IC50 0.39 ug.mL-1 10.1021/np50089a003
Homo sapiens A549 IC50 7400.0 nM 10.1021/np9008255
Homo sapiens A549 IC50 7500.0 nM 10.1021/jm901031h
Homo sapiens Acetylcholinesterase IC50 187630.0 nM 10.1021/acs.jnatprod.7b00301
Homo sapiens Acetylcholinesterase Ki nan None 10.1016/j.bmcl.2010.06.130
Homo sapiens Glucose transporter Inhibition 4.04 % 10.6019/CHEMBL3433997
Homo sapiens HepG2 Inhibition 18.0 % 10.1038/nature09107
Homo sapiens NHDF IC50 66900.0 nM 10.1021/jm901031h
Homo sapiens SK-MEL IC50 10000.0 nM 10.1021/np9008255
Homo sapiens SK-MEL-28 IC50 10000.0 nM 10.1021/jm901031h
Japanese encephalitis virus Japanese encephalitis virus IC50 0.28 ug.mL-1 10.1021/np50089a003
Leishmania donovani Leishmania donovani IC50 30.0 ug.mL-1 10.1016/j.bmcl.2019.126642
Leishmania mexicana Glucose transporter Inhibition 1.58 % 10.6019/CHEMBL3433997
Mus musculus B16-F10 IC50 7500.0 nM 10.1021/jm901031h
Mus musculus B16-F10 IC50 7500.0 nM 10.1021/np9008255
Plasmodium falciparum Hexose transporter 1 Inhibition 3.79 % 10.6019/CHEMBL3433997
Plasmodium falciparum Plasmodium falciparum Inhibition 3.0 % 10.1038/nature09107
Plasmodium falciparum Plasmodium falciparum Inhibition 31.0 % 10.1038/nature09107
Plasmodium falciparum Plasmodium falciparum Inhibition 90.0 % 10.1038/nature09107
Plasmodium falciparum Plasmodium falciparum XC50 990.84 nM 10.1038/nature09107
Punta Toro virus Punta Toro virus IC50 0.6 ug.mL-1 10.1021/np50089a003
Rift Valley fever virus Rift Valley fever virus IC50 0.63 ug.mL-1 10.1021/np50089a003
Sandfly fever Sicilian virus Sandfly fever Sicilian virus IC50 nan None 10.1021/np50089a003
Trypanosoma cruzi Trypanosoma cruzi IC50 30.0 ug.mL-1 10.1016/j.bmcl.2019.126642
Yellow fever virus Yellow fever virus IC50 0.35 ug.mL-1 10.1021/np50089a003
None ADMET IC50 44000.0 nM 10.1021/jm901031h
None ADMET IC50 79100.0 nM 10.1021/jm901031h
None ADMET TI 2.6 None 10.1021/np50089a003
None ADMET TI 3.7 None 10.1021/np50089a003
None ADMET TI 3.9 None 10.1021/np50089a003
None ADMET TI 5.0 None 10.1021/np50089a003
None ADMET TI 6.0 None 10.1021/np50089a003
None NON-PROTEIN TARGET IC50 7700.0 nM 10.1021/jm901031h
None NON-PROTEIN TARGET IC50 7800.0 nM 10.1021/jm901031h
None NON-PROTEIN TARGET IC50 7800.0 nM 10.1021/np9008255
None NON-PROTEIN TARGET IC50 7900.0 nM 10.1021/jm901031h
None NON-PROTEIN TARGET IC50 7900.0 nM 10.1021/np9008255
None Unchecked IFI 4.14 % 10.1038/nature09107

Metabolism Information