acompound

Showing entry for (-)-Dihydroguaiareticacid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032282
Compound Name	(-)-Dihydroguaiareticacid
Structure
Formula	C20H26O4
InchiKey	ADFOLUXMYYCTRR-ZIAGYGMSSA-N
SMILES	COc1cc(ccc1O)C[C@H]([C@@H](Cc1ccc(c(c1)OC)O)C)C
Inchi	InChI=1S/C20H26O4/c1-13(9-15-5-7-17(21)19(11-15)23-3)14(2)10-16-6-8-18(22)20(12-16)24-4/h5-8,11-14,21-22H,9-10H2,1-4H3/t13-,14-/m1/s1
IUPAC	4-[(2R,3R)-4-(4-hydroxy-3-methoxyphenyl)-2,3-dimethylbutyl]-2-methoxyphenol
Molecular Weight	330.18
Pubchem Id	11602375
Chembl Id	CHEMBL375927

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

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
P02766	BXGT005953	Transthyretin	reviewed	TTR	Transporter	-	-	-	-

Binding DB

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
reviewed	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	-	35000	-	-
reviewed	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	230000	-	-	-
reviewed	BXGT015288	Carbonic anhydrase	reviewed		NCE103	620	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	307000	-	-	-
reviewed	BXGT012457	Beta-carbonic anhydrase 1	reviewed		mtcA1	850	-	-	-

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
P9WPJ7	BXGT012457	Beta-carbonic anhydrase 1	reviewed	-	mtcA1	Ki	'='	850	nM
P35218	BXGT009796	Carbonic anhydrase 5A, mitochondrial	reviewed	-	CA5A	Kinact	'='	85	nM
Q5AJ71	BXGT015288	Carbonic anhydrase	reviewed	-	NCE103	Ki	'='	620	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Kinact	'='	230	uM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	307000	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Kinact	'='	307	uM
Q9Y2D0	BXGT022229	Carbonic anhydrase 5B, mitochondrial	reviewed	-	CA5B	Kinact	'='	71	nM
P04150	BXGT006154	Glucocorticoid receptor	reviewed	Nuclear receptor	NR3C1	IC50	'='	35000	nM
P96878	BXGT012191	Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase)	unreviewed	-	Rv3273	Ki	'='	9100	nM
Q3I4V7	BXGT014421	Carbonic anhydrase	unreviewed	-	CAN2	Ki	'='	810	nM
P37059	BXGT009957	Estradiol 17-beta-dehydrogenase 2	reviewed	Enzyme	HSD17B2	IC50	'='	940	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	230000	nM
P14061	BXGT007979	Estradiol 17-beta-dehydrogenase 1	reviewed	Enzyme	HSD17B1	IC50	'='	7700	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01284	Saururus cernuus	Saururus cernuus	Medicinal Plant
BXGF02751	Endiandra anthropophagorum	Endiandra anthropophagorum	Others
BXGF03056	Saururus chinensis	Saururus chinensis	Medicinal Plant
BXGF04431	Casuarina equisetifolia	Casuarina equisetifolia	Medicinal Plant
BXGF04480	Mollugo pentaphylla	Mollugo pentaphylla	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}