acompound

Showing entry for Endiandrin B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043451
Compound Name	Endiandrin B
Structure
Formula	C20H24O4
InchiKey	QDBUCXMBHJMGCN-JARDSOJUSA-N
SMILES	COc1cc(ccc1O)[C@@H]1[C@@H](C)[C@H]([C@@H]1c1ccc(c(c1)OC)O)C
Inchi	InChI=1S/C20H24O4/c1-11-12(2)20(14-6-8-16(22)18(10-14)24-4)19(11)13-5-7-15(21)17(9-13)23-3/h5-12,19-22H,1-4H3/t11-,12+,19-,20+
IUPAC	4-[(1R,2S,3R,4S)-2-(4-hydroxy-3-methoxyphenyl)-3,4-dimethylcyclobutyl]-2-methoxyphenol
Molecular Weight	328.17
Pubchem Id	25242508
Chembl Id	CHEMBL517222

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

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	BXGT005690	Carbonic anhydrase 2	reviewed		CA2	12100	-	-	-
reviewed	BXGT005689	Carbonic anhydrase 1	reviewed		CA1	354000	-	-	-
reviewed	BXGT012457	Beta-carbonic anhydrase 1	reviewed		mtcA1	800	-	-	-
reviewed	BXGT015288	Carbonic anhydrase	reviewed		NCE103	700	-	-	-

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
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Kinact	'='	12	uM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Kinact	'='	354	uM
Q3I4V7	BXGT014421	Carbonic anhydrase	unreviewed	-	CAN2	Ki	'='	950	nM
Q5AJ71	BXGT015288	Carbonic anhydrase	reviewed	-	NCE103	Ki	'='	700	nM
P35218	BXGT009796	Carbonic anhydrase 5A, mitochondrial	reviewed	-	CA5A	Kinact	'='	98	nM
P00918	BXGT005690	Carbonic anhydrase 2	reviewed	-	CA2	Ki	'='	12100	nM
Q9Y2D0	BXGT022229	Carbonic anhydrase 5B, mitochondrial	reviewed	-	CA5B	Kinact	'='	79	nM
P9WPJ7	BXGT012457	Beta-carbonic anhydrase 1	reviewed	-	mtcA1	Ki	'='	800	nM
P96878	BXGT012191	Probable transmembrane carbonic anhydrase (Carbonate dehydratase) (Carbonic dehydratase)	unreviewed	-	Rv3273	Ki	'='	890	nM
P00915	BXGT005689	Carbonic anhydrase 1	reviewed	-	CA1	Ki	'='	354000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02751	Endiandra anthropophagorum	Endiandra anthropophagorum	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}