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Klugine

AlkaPlorer ID: AK022306

Synonym: None

IUPAC Name: (1S)-1-[[(2R,3R,11bS)-3-ethyl-9-hydroxy-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl]methyl]-7-methoxy-3,4-dihydro-2H-isoquinoline-1,6-diol

Structure

SMILES: CC[C@H]1CN2CCC3=CC(O)=C(OC)C=C3[C@@H]2C[C@@H]1C[C@@]1(O)NCCC2=CC(O)=C(OC)C=C21

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InChI: InChI=1S/C27H36N2O5/c1-4-16-15-29-8-6-17-10-23(30)25(33-2)12-20(17)22(29)9-19(16)14-27(32)21-13-26(34-3)24(31)11-18(21)5-7-28-27/h10-13,16,19,22,28,30-32H,4-9,14-15H2,1-3H3/t16-,19+,22-,27-/m0/s1

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InChIKey: IIFHKWNCTVOSKL-OKGGWNPJSA-N

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Source

Species Genus Family Order Class Phylum Kingdom Domain

Properties Information

Molecule Weight: 468.5940000000003

TPSA？: 94.42000000000002

MolLogP？: 3.4414000000000016

Number of H-Donors: 4

Number of H-Acceptors: 7

RingCount: 5

Activities Information

Organism Target Name Standard Type Standard Value Standard Units doi
Chlorocebus sabaeus Vero Activity nan None 10.1021/np030086k
Homo sapiens Aryl hydrocarbon receptor nuclear translocator Activity nan None 10.1021/np050029m
Homo sapiens BT-549 IC50 10.0 ug.mL-1 10.1021/np030086k
Homo sapiens HL-60 IC50 25.0 ug.mL-1 10.1021/np030086k
Homo sapiens Hypoxia-inducible factor 1 alpha Activity nan None 10.1021/np050029m
Homo sapiens Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha Activity nan None 10.1021/np050029m
Homo sapiens Hypoxia inducible factors; HIF-1-alpha, HIF-2-alpha IC50 200.0 nM 10.1021/np050029m
Homo sapiens KB IC50 10.0 ug.mL-1 10.1021/np030086k
Homo sapiens Leukocyte adhesion glycoprotein LFA-1 alpha Activity nan None 10.1021/np030086k
Homo sapiens Leukocyte adhesion glycoprotein LFA-1 alpha MIC 20.8 ug.mL-1 10.1021/np030086k
Homo sapiens SK-MEL IC50 10.0 ug.mL-1 10.1021/np030086k
Homo sapiens SK-OV-3 IC50 10.0 ug.mL-1 10.1021/np030086k
Homo sapiens T47D Activity nan None 10.1021/np050029m
Leishmania donovani Leishmania donovani IC50 0.4 ug.mL-1 10.1021/np030086k
Leishmania donovani Leishmania donovani IC90 2.5 ug.mL-1 10.1021/np030086k
Plasmodium falciparum Plasmodium falciparum IC50 0.0377 ug.mL-1 10.1021/np030086k
Plasmodium falciparum Plasmodium falciparum IC50 0.0463 ug.mL-1 10.1021/np030086k
None Unchecked Activity nan None 10.1021/np050029m
None Unchecked Inhibition 56.0 % 10.1021/np050029m
None Unchecked Ratio 1.2 None 10.1021/np030086k
None Unchecked Ratio IC50 217.0 None 10.1021/np030086k
None Unchecked Ratio IC50 265.0 None 10.1021/np030086k

Metabolism Information