Molecule

Dihydrocoptisine

AlkaPlorer ID: AK016408

Synonym: None

IUPAC Name: 5,7,17,19-tetraoxa-13-azahexacyclo[11.11.0.02,10.04,8.015,23.016,20]tetracosa-1(24),2,4(8),9,15(23),16(20),21-heptaene

Structure

SMILES: C1=C2C3=C(C=C4OCOC4=C3)CCN2CC2=C1C=CC1=C2OCO1

InChI: InChI=1S/C19H15NO4/c1-2-16-19(24-10-21-16)14-8-20-4-3-12-6-17-18(23-9-22-17)7-13(12)15(20)5-11(1)14/h1-2,5-7H,3-4,8-10H2

InChIKey: FYTDXOGJMXIITH-UHFFFAOYSA-N

Reference

A new benzylisoquinoline alkaloid from<i>Argemone mexicana</i>

PubChem CID: 12303911

LOTUS: LTS0046845

SuperNatural Ⅲ: SN0099127

COCONUT: CNP0325341

Source

Species	Genus	Family	Order	Class	Phylum	Kingdom	Domain
Argemone mexicana	Argemone	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Fumaria indica	Fumaria	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota
Chelidonium majus	Chelidonium	Papaveraceae	Ranunculales	Magnoliopsida	Streptophyta	Viridiplantae	Eukaryota

Properties Information

Molecule Weight: 321.3320000000001

TPSA？: 40.16

MolLogP？: 3.0138000000000016

Number of H-Donors: 0

Number of H-Acceptors: 5

RingCount: 6

Activities Information

Organism	Target Name	Standard Type	Standard Value	Standard Units	doi
Homo sapiens	A549	GI	32.09	%	10.1016/j.ejmech.2014.09.006
Homo sapiens	A549	IC50	5.0	ug.mL-1	10.1016/j.ejmech.2014.09.006
Homo sapiens	X-box-binding protein 1	Activity	nan	None	10.1021/acs.jmedchem.5b00964
Homo sapiens	X-box-binding protein 1	EC50	2.25	nM	10.1021/acs.jmedchem.5b00964
Homo sapiens	X-box-binding protein 1	FC	2.96	None	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Activity	-7.0	%	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Activity	0.4	%	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Activity	6.8	%	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Activity	18.7	%	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Activity	20.8	%	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Activity	24.6	%	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Activity	nan	None	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Activity_index	2.16	None	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Activity_index	2.86	None	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Activity_index	3.52	None	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Inhibition	47.96	%	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Inhibition	55.87	%	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Inhibition	73.98	%	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Inhibition	nan	%	10.1021/acs.jmedchem.5b00964
Mus musculus	Mus musculus	Ratio	2.0	None	10.1021/acs.jmedchem.5b00964
None	NON-PROTEIN TARGET	Activity	nan	None	10.1016/j.ejmech.2014.09.006
None	NON-PROTEIN TARGET	GI	-10.65	%	10.1016/j.ejmech.2014.09.006
None	NON-PROTEIN TARGET	GI	27.27	%	10.1016/j.ejmech.2014.09.006
None	NON-PROTEIN TARGET	GI	30.88	%	10.1016/j.ejmech.2014.09.006
None	NON-PROTEIN TARGET	IC50	5.0	ug.mL-1	10.1016/j.ejmech.2014.09.006