Phyto4Health

Papaverine

Representations & DB's id

ChEBI: CHEBI:28241
ChEMBL: CHEMBL19224
PubChem: 4680
IUPAC: 1-[(3,4-dimethoxyphenyl)methyl]-6,7-dimethoxyisoquinoline
Standard InChI: InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3
Standard InChI Key: XQYZDYMELSJDRZ-UHFFFAOYSA-N
SMILES: COc1ccc(cc1OC)Cc1nccc2c1cc(OC)c(c2)OC

Molecular propeties

AlogP: 3.86
Hydrogen bonds acceptors: 5
Hydrogen bonds donors: 0
Rotatable bonds: 6
Number of rings: 3
Molecular Weight: 339.15
Topological polar surface area: 49.8
Number of aromatic rings: 3
Fsp3: 0.25
Number of carbons: 20

Plant sources

Part of plant Plant name Ref.
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum
PericarpiumPapaver somniferum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
IC5017000 nMPhosphodiesterase 2AO00408
Others88.2 %AcetylcholinesteraseP22303
Others46.4 %AcetylcholinesteraseP22303
IC5024330 nMAcetylcholinesteraseP22303
Ki279 nMPhosphodiesterase 3AQ14432
Ki417 nMPhosphodiesterase 3BQ13370
Others118.2 %Sphingomyelin phosphodiesteraseP17405
Others66.3 %Solute carrier family 22 member 1O15245
IC5056.9 nMPhosphodiesterase 10AQ9Y233
IC5076 nMPhosphodiesterase 10AQ9Y233
Potency1995.3 nMPrelamin-A/CP02545
Potency10000 nMNuclear factor NF-kappa-B p105 subunitP19838
Potency91999.7 nMRas-related protein Rab-9AP51151
Potency7943.3 nMSurvival motor neuron proteinQ16637
Potency12589.3 nMThyroid stimulating hormone receptorP16473
Potency5011.9 nMThyroid stimulating hormone receptorP16473
Potency3162.3 nMThyroid stimulating hormone receptorP16473
Potency10000 nMCytochrome P450 2C19P33261
Potency3981.1 nMCytochrome P450 2C19P33261
Potency5011.9 nMCytochrome P450 2C19P33261
Potency10000 nMHypoxia-inducible factor 1 alphaQ16665
Potency2511.9 nMHypoxia-inducible factor 1 alphaQ16665
Potency3548.1 nMAldehyde dehydrogenase 1A1P00352
Potency15848.9 nMCREB-binding proteinQ92793
Potency10000 nMCREB-binding proteinQ92793
Potency39810.7 nMArachidonate 15-lipoxygenaseP16050
Potency10000 nMHypoxia-inducible factor 1 alphaQ16665
Potency2511.9 nMHypoxia-inducible factor 1 alphaQ16665
Potency7079.5 nMArachidonate 12-lipoxygenaseP18054
Potency31622.8 nMMAP kinase ERK2P28482
Potency7943.3 nMMAP kinase ERK2P28482
Potency10000 nMNuclear factor NF-kappa-B p105 subunitP19838
Potency12589.3 nMThyroid stimulating hormone receptorP16473
Potency12589.3 nMUbiquitin carboxyl-terminal hydrolase 2O75604
Potency7943.3 nMCREB-binding proteinQ92793
Potency7943.3 nMCREB-binding proteinQ92793
Potency5011.9 nMThyroid stimulating hormone receptorP16473
Potency707.9 nMCREB-binding proteinQ92793
Potency562.3 nMCREB-binding proteinQ92793
Potency12589.3 nMThrombopoietinP40225
Potency2511.9 nMCytochrome P450 3A4P08684
Potency10000 nMCytochrome P450 2D6P10635
Potency12589.3 nMCytochrome P450 2D6P10635
Potency1995.3 nMCytochrome P450 3A4P08684
Potency25118.9 nMCytochrome P450 2D6P10635
Potency2511.9 nMCytochrome P450 3A4P08684
Potency39810.7 nMCytochrome P450 2C9P11712
Potency1258.9 nMCREB-binding proteinQ92793
Potency1258.9 nMCREB-binding proteinQ92793
Potency12589.3 nMCytochrome P450 2C9P11712
Potency1995.3 nMCytochrome P450 3A4P08684
Potency12589.3 nMThrombopoietinP40225
IC5017 nMPhosphodiesterase 10AQ9Y233
IC507244.36 nMHERGQ12809
Potency7307.8 nMNuclear factor erythroid 2-related factor 2Q16236
Potency5623.4 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency707.9 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency6 nMChromobox protein homolog 1P83916
IC5021 nMPhosphodiesterase 10AQ9Y233
IC5036 nMPhosphodiesterase 10AQ9Y233
IC50210 nMPhosphodiesterase 10AQ9Y233
Others13.3 %Bile acid receptor FXRQ96RI1
IC5036 nMPhosphodiesterase 10AQ9Y233
IC5036 nMPhosphodiesterase 10AQ9Y233
IC5092.3 nMPhosphodiesterase 10AQ9Y233