Phyto4Health

Scoulerine

Representations & DB's id
ChEBI: CHEBI:17129
ChEMBL: CHEMBL1235966
PubChem: 439654
IUPAC: (13aS)-3,10-dimethoxy-6,8,13,13a-tetrahydro-5H-isoquinolino[2,1-b]isoquinoline-2,9-diol
Standard InChI: InChI=1S/C19H21NO4/c1-23-17-4-3-11-7-15-13-9-16(21)18(24-2)8-12(13)5-6-20(15)10-14(11)19(17)22/h3-4,8-9,15,21-22H,5-7,10H2,1-2H3/t15-/m0/s1
Standard InChI Key: KNWVMRVOBAFFMH-HNNXBMFYSA-N
SMILES: COc1cc2CCN3[C@H](c2cc1O)Cc1c(C3)c(O)c(cc1)OC

Molecular propeties
AlogP: 2.77
Hydrogen bonds acceptors: 5
Hydrogen bonds donors: 2
Rotatable bonds: 2
Number of rings: 4
Molecular Weight: 327.15
Topological polar surface area: 62.2
Number of aromatic rings: 2
Fsp3: 0.368
Number of carbons: 19

Plant sources

Part of plant Plant name Ref.
PlantPapaver somniferum

In vitro data

Activity Type Activity Value Target Name UniProt ID Ref.
Potency15848.9 nMLethal(3)malignant brain tumor-like protein 1Q9Y468
Potency29092.9 nMNuclear factor erythroid 2-related factor 2Q16236
Potency14125.4 nMHistone-lysine N-methyltransferase, H3 lysine-9 specific 3Q96KQ7
Potency12589.3 nMATPase family AAA domain-containing protein 5Q96QE3
Potency4610.9 nMGemininO75496
Potency11155.6 nMDNA dC->dU-editing enzyme APOBEC-3FQ8IUX4
Potency12516.8 nMDNA dC->dU-editing enzyme APOBEC-3FQ8IUX4
Potency20596.2 nMGemininO75496
Potency44668.4 nMAtaxin-2Q99700
Potency10000 nMGlucagon-like peptide 1 receptorP43220
Potency12516.8 nMDNA dC->dU-editing enzyme APOBEC-3GQ9HC16
Ki22 nMDopamine D1 receptorP21728
Ki214 nMDopamine D2 receptorP14416
Others99.1 %Dopamine D1 receptorP21728
Others93.4 %Dopamine D2 receptorP14416
Others20.9 %Serotonin 2a (5-HT2a) receptorP28223
Others14.2 %Serotonin 1a (5-HT1a) receptorP08908