acompound

Showing entry for Casuarinin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028784
Compound Name	Casuarinin
Structure
Formula	C41H28O26
InchiKey	MMQXBTULXAEKQE-LVFBLPLOSA-N
SMILES	O=C(c1cc(O)c(c(c1)O)O)O[C@@H]1COC(=O)c2cc(O)c(c(c2c2c(C(=O)O[C@H]1[C@@H]1OC(=O)c3cc(O)c(c(c3c3c4C(=O)O[C@H]1[C@H](O)c4c(O)c(c3O)O)O)O)cc(O)c(c2O)O)O)O
Inchi	InChI=1S/C41H28O26/c42-11-1-7(2-12(43)23(11)47)37(58)64-16-6-63-38(59)8-3-13(44)24(48)27(51)17(8)18-9(4-14(45)25(49)28(18)52)39(60)65-34(16)36-35-32(56)22-21(41(62)66-35)20(30(54)33(57)31(22)55)19-10(40(61)67-36)5-15(46)26(50)29(19)53/h1-5,16,32,34-36,42-
IUPAC
Molecular Weight	936.09
Pubchem Id	13834145
Chembl Id	CHEMBL507387

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	BXGT010917	Squalene monooxygenase	reviewed		Sqle	-	32000	-	-

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
P52020	BXGT010917	Squalene monooxygenase	reviewed	-	Sqle	IC50	'='	32000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00094	Common walnut	Juglans regia	Nuts
BXGF00150	Guava	Psidium guajava	Fruits
BXGF00151	Pomegranate	Punica granatum	Fruits
BXGF00408	Malabar plum	Syzygium jambos	Fruits
BXGF01540	Rhodomyrtus tomentosa	Rhodomyrtus tomentosa	Medicinal Plant
BXGF02619	Liquidambar formosana	Liquidambar formosana	Medicinal Plant
BXGF04283	Terminalia chebula	Terminalia chebula	Medicinal Plant
BXGF04726	Eucalyptus viminalis	Eucalyptus viminalis	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}