Sanguinarium

Representations & DB's id
ChEBI:	CHEBI:17183
ChEMBL:	CHEMBL417799
PubChem:	5154
IUPAC:	24-methyl-5,7,18,20-tetraoxa-24-azoniahexacyclo[11.11.0.02,10.04,8.014,22.017,21]tetracosa-1(24),2,4(8),9,11,13,15,17(21),22-nonaene
Standard InChI:	InChI=1S/C20H14NO4/c1-21-8-15-12(4-5-16-20(15)25-10-22-16)13-3-2-11-6-17-18(24-9-23-17)7-14(11)19(13)21/h2-8H,9-10H2,1H3/q+1
Standard InChI Key:	INVGWHRKADIJHF-UHFFFAOYSA-N
SMILES:	C[n+]1cc2c3OCOc3ccc2c2c1c1cc3OCOc3cc1cc2

Molecular propeties
AlogP:	3.43
Hydrogen bonds acceptors:	4
Hydrogen bonds donors:	0
Rotatable bonds:	0
Number of rings:	6
Molecular Weight:	332.09
Topological polar surface area:	40.8
Number of aromatic rings:	4
Fsp3:	0.15
Number of carbons:	20

Plant sources

Part of plant	Plant name	Ref.
Plant	Papaver somniferum
Herba	Chelidonium majus

In vitro data

Activity Type	Activity Value	Target Name	UniProt ID
IC50	19000 nM	Bcl2-antagonist of cell death (BAD)	Q92934
Potency	398.1 nM	Prelamin-A/C	P02545
Potency	10000 nM	Nuclear factor NF-kappa-B p105 subunit	P19838
Potency	25118.9 nM	Regulator of G-protein signaling 12	O14924
Potency	25118.9 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	3981.1 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	12589.3 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	7079.5 nM	Lysine-specific demethylase 4D-like	B2RXH2
Potency	6309.6 nM	Huntingtin	P42858
Potency	10000 nM	Signal transducer and activator of transcription 6	P42226
Potency	46109.1 nM	Ras-related protein Rab-9A	P51151
Potency	22387.2 nM	Survival motor neuron protein	Q16637
Potency	11220.2 nM	Survival motor neuron protein	Q16637
Potency	25118.9 nM	Thyroid stimulating hormone receptor	P16473
Potency	12589.3 nM	Thyroid stimulating hormone receptor	P16473
Potency	3162.3 nM	Cytochrome P450 2C19	P33261
Potency	6309.6 nM	Cytochrome P450 2C19	P33261
Potency	28183.8 nM	Microtubule-associated protein tau	P10636
Potency	7943.3 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	10000 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	22387.2 nM	Aldehyde dehydrogenase 1A1	P00352
Potency	10000 nM	Pyruvate kinase isozymes M1/M2	P14618
Potency	3162.3 nM	Arachidonate 15-lipoxygenase	P16050
Potency	7943.3 nM	Arachidonate 15-lipoxygenase	P16050
Potency	7943.3 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	10000 nM	Hypoxia-inducible factor 1 alpha	Q16665
Potency	12589.3 nM	Arachidonate 12-lipoxygenase	P18054
Potency	10000 nM	Arachidonate 12-lipoxygenase	P18054
Potency	15848.9 nM	MAP kinase ERK2	P28482
Potency	25118.9 nM	MAP kinase ERK2	P28482
Potency	10000 nM	Pyruvate kinase isozymes M1/M2	P14618
Potency	10000 nM	Nuclear factor NF-kappa-B p105 subunit	P19838
Potency	25118.9 nM	Thyroid stimulating hormone receptor	P16473
Potency	12589.3 nM	Thyroid stimulating hormone receptor	P16473
Potency	7943.3 nM	Signal transducer and activator of transcription 6	P42226
Potency	25118.9 nM	MAP kinase ERK2	P28482
Potency	25118.9 nM	Ubiquitin carboxyl-terminal hydrolase 2	O75604
Potency	145809.7 nM	Niemann-Pick C1 protein	O15118
Potency	3288.5 nM	Serine/threonine-protein kinase mTOR	P42345
Potency	14125.4 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	1000 nM	Thrombopoietin	P40225
Potency	28183.8 nM	15-hydroxyprostaglandin dehydrogenase [NAD+]	P15428
Potency	12589.3 nM	Cellular tumor antigen p53	P04637
Potency	3162.3 nM	Cellular tumor antigen p53	P04637
Potency	31622.8 nM	Endoplasmic reticulum-associated amyloid beta-peptide-binding protein	Q99714
Potency	6309.6 nM	Cellular tumor antigen p53	P04637
Potency	2511.9 nM	Cellular tumor antigen p53	P04637
Potency	7943.3 nM	Signal transducer and activator of transcription 6	P42226
Potency	3162.3 nM	Cytochrome P450 3A4	P08684
Potency	31622.8 nM	Cytochrome P450 2D6	P10635
Potency	12589.3 nM	Cytochrome P450 3A4	P08684
Potency	7943.3 nM	Cytochrome P450 2D6	P10635
Potency	15848.9 nM	Cytochrome P450 2C9	P11712
Potency	3162.3 nM	Cytochrome P450 3A4	P08684
Potency	1000 nM	Thrombopoietin	P40225
Potency	12589.3 nM	Cytochrome P450 3A4	P08684
Potency	2908.1 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	18356.4 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	15848.9 nM	Histone acetyltransferase GCN5	Q92830
Potency	56234.1 nM	Tumor susceptibility gene 101 protein	Q99816
Potency	12589.3 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	1888.8 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	9466.2 nM	Chromobox protein homolog 1	P83916
Potency	3981.1 nM	Arachidonate 15-lipoxygenase, type II	O15296
Potency	3981.1 nM	Arachidonate 15-lipoxygenase, type II	O15296
Potency	580.2 nM	ATPase family AAA domain-containing protein 5	Q96QE3
Potency	3162.3 nM	Glutaminase kidney isoform, mitochondrial	O94925
Potency	4610.9 nM	Dopamine D1 receptor	P21728
Potency	5623.4 nM	Ataxin-2	Q99700
Potency	1995.3 nM	Ataxin-2	Q99700
Others	15 %	Solute carrier organic anion transporter family member 2B1	O94956
Others	2.9 %	Solute carrier organic anion transporter family member 1B3	Q9NPD5
Others	-0.2 %	Solute carrier organic anion transporter family member 1B1	Q9Y6L6

Sanguinarium

Representations & DB's id

Molecular propeties

Plant sources

In vitro data