acompound

Showing entry for collinin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025190
Compound Name	collinin
Structure
Formula	C20H24O4
InchiKey	MJWGWXGEAHRWOV-NTCAYCPXSA-N
SMILES	COc1c(OC/C=C(/CCC=C(C)C)\C)ccc2c1oc(=O)cc2
Inchi	InChI=1S/C20H24O4/c1-14(2)6-5-7-15(3)12-13-23-17-10-8-16-9-11-18(21)24-19(16)20(17)22-4/h6,8-12H,5,7,13H2,1-4H3/b15-12+
IUPAC	7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-8-methoxychromen-2-one
Molecular Weight	328.17
Pubchem Id	5316012
Chembl Id	CHEMBL306908

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
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	FC	'='	6	-
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	FC	'='	2	-
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	FC	'='	1	-
O95749	BXGT005394	Geranylgeranyl pyrophosphate synthase	reviewed	-	GGPS1	Inhibition	'='	15	%
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	FC	'='	1	-
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	Activity	-	-	-
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	FC	'='	0	-
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	FC	'='	3	-
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	FC	'='	4	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02055	Aconitum volubile	Aconitum volubile	Medicinal Plant
BXGF04018	Derris malaccensis	Derris malaccensis	Medicinal Plant
BXGF06075	Zanthoxylum schinifolium	Zanthoxylum schinifolium	Medicinal Plant

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}