Noscapine

Representations & DB's id
ChEBI:	CHEBI:73237
ChEMBL:	CHEMBL364713
PubChem:	275196
IUPAC:	(3S)-6,7-dimethoxy-3-[(5R)-4-methoxy-6-methyl-7,8-dihydro-5H-[1,3]dioxolo[4,5-g]isoquinolin-5-yl]-3H-2-benzofuran-1-one
Standard InChI:	InChI=1S/C22H23NO7/c1-23-8-7-11-9-14-20(29-10-28-14)21(27-4)15(11)17(23)18-12-5-6-13(25-2)19(26-3)16(12)22(24)30-18/h5-6,9,17-18H,7-8,10H2,1-4H3/t17-,18+/m1/s1
Standard InChI Key:	AKNNEGZIBPJZJG-MSOLQXFVSA-N
SMILES:	COc1ccc2c(c1OC)C(=O)O[C@@H]2[C@@H]1N(C)CCc2c1c(OC)c1c(c2)OCO1

Molecular propeties
AlogP:	2.88
Hydrogen bonds acceptors:	8
Hydrogen bonds donors:	0
Rotatable bonds:	4
Number of rings:	5
Molecular Weight:	413.15
Topological polar surface area:	75.7
Number of aromatic rings:	2
Fsp3:	0.409
Number of carbons:	22

Plant sources

Activity Type	Activity Value	Target Name	UniProt ID
Others	114.8 %	Sphingomyelin phosphodiesterase	P17405
Others	78 %	Canalicular multispecific organic anion transporter 1	Q92887
Potency	115820.8 nM	Ras-related protein Rab-9A	P51151
Potency	158.5 nM	Cytochrome P450 2C19	P33261
Potency	31622.8 nM	MAP kinase ERK2	P28482
Potency	1995.3 nM	Cytochrome P450 3A4	P08684
Potency	125.9 nM	Cytochrome P450 2C9	P11712
Potency	1995.3 nM	Cytochrome P450 3A4	P08684
Potency	16360.1 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	10322.5 nM	Nuclear factor erythroid 2-related factor 2	Q16236
Potency	23778.1 nM	Histone-lysine N-methyltransferase, H3 lysine-9 specific 3	Q96KQ7
Potency	89125.1 nM	Chromobox protein homolog 1	P83916
Potency	23109.3 nM	Geminin	O75496
Potency	29092.9 nM	Geminin	O75496
Potency	3548.1 nM	Ataxin-2	Q99700
IC50	2600 nM	Solute carrier family 22 member 2	O15244
Others	13.4 %	Multidrug and toxin extrusion protein 1	Q96FL8
IC50	34500 nM	Multidrug and toxin extrusion protein 1	Q96FL8