acompound

Showing entry for Dehydrotoxicarol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043612
Compound Name	Dehydrotoxicarol
Structure
Formula	C23H20O7
InchiKey	HDDUSYQWBVKRGV-UHFFFAOYSA-N
SMILES	COc1cc2OCc3c(c2cc1OC)c(=O)c1c(o3)c2C=CC(Oc2cc1O)(C)C
Inchi	InChI=1S/C23H20O7/c1-23(2)6-5-11-15(30-23)8-13(24)20-21(25)19-12-7-16(26-3)17(27-4)9-14(12)28-10-18(19)29-22(11)20/h5-9,24H,10H2,1-4H3
IUPAC
Molecular Weight	408.12
Pubchem Id	5491616
Chembl Id	CHEMBL122787

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
P47199	BXGT010568	Quinone oxidoreductase	reviewed	-	Cryz	CD	'>'	23	uM
P31214	BXGT009516	3-oxo-5-alpha-steroid 4-dehydrogenase 2	reviewed	-	Srd5a2	IC50	'='	48700	nM
P24008	BXGT008940	3-oxo-5-alpha-steroid 4-dehydrogenase 1	reviewed	-	Srd5a1	IC50	'='	48700	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01471	Cordia americana	Cordia americana	Others
BXGF04298	Pedicularis semitorta	Pedicularis semitorta	Others
BXGF05172	Scopolia japonica	Scopolia japonica	Medicinal Plant
BXGF05450	Achillea cretica	Achillea cretica	Others
BXGF05528	Glycosmis montana	Glycosmis montana	Medicinal Plant
BXGF05594	Eupatorium riparium	Eupatorium riparium	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}