acompound

Showing entry for 4'-Demethylpodophyllotoxin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0019342
Compound Name	4'-Demethylpodophyllotoxin
Structure
Formula	C21H20O8
InchiKey	YVCVYCSAAZQOJI-BTINSWFASA-N
SMILES	COc1cc(cc(c1O)OC)[C@H]1[C@H]2C(=O)OC[C@@H]2[C@H](c2c1cc1OCOc1c2)O
Inchi	InChI=1S/C21H20O8/c1-25-15-3-9(4-16(26-2)20(15)23)17-10-5-13-14(29-8-28-13)6-11(10)19(22)12-7-27-21(24)18(12)17/h3-6,12,17-19,22-23H,7-8H2,1-2H3/t12-,17+,18-,19-/m0/s1
IUPAC	(5R,5aR,8aR,9R)-5-hydroxy-9-(4-hydroxy-3,5-dimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[5,6-f][1,3]benzodioxol-8-one
Molecular Weight	400.12
Pubchem Id	122667
Chembl Id	CHEMBL28941

Targets of Information Source

DrugBank

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Groups	Target Type

PDB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	Ka M-1

Binding DB

n.a

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Ki nM	ic50 nM	Kd nM	EC50 nM

CHEMBL

Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	width="10%">Type	Relation	value	Units
Uniport Id	BXGT Id	Protein Name	Status	Protein Class	Gene	Type	Relation	value	Units
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Inhibition	'='	25	%
Q7ZJM1	BXGT017268	Integrase	unreviewed	-	pol	Inhibition	'<'	5	%
Q02880	BXGT012677	DNA topoisomerase 2-beta	reviewed	-	TOP2B	Protein-DNA complex formation	'='	3	%
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Protein-DNA complex formation	'='	3	%
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Inhibition	'='	3	%
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Activity	'='	1	%
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	ID50	'>'	100	uM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01019	Sinopodophyllum hexandrum	Sinopodophyllum hexandrum	Medicinal Plant
BXGF01657	Swertia paniculata	Swertia paniculata	Medicinal Plant
BXGF01897	Sinopodophyllum emodi	Sinopodophyllum emodi	Others
BXGF02561	Dysosma versipellis	Dysosma versipellis	Medicinal Plant
BXGF04324	Diphylleia sinensis	Diphylleia sinensis	Medicinal Plant
BXGF04939	Schefflera capitata	Schefflera capitata	Others
BXGF05012	Linum album	Linum album	Others
BXGF05280	Senecio mexicanus	Senecio mexicanus	Others
BXGF05292	Croton nitens	Croton nitens	Others
BXGF05744	Dimorphotheca sinuata	Dimorphotheca sinuata	Others

The compound-realted diseases

Diseases

BXGD Id	Disease Name	CUI Disease Id	Disease Class Name	Number of targets^{?Number of targets related to compound connecting disease, higher numbers indicate the compound is more associated with the disease}