acompound

Showing entry for Cyclomorusin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0001897
Compound Name	Cyclomorusin
Structure
Formula	C25H22O6
InchiKey	GDQXJMLXEYSICD-UHFFFAOYSA-N
SMILES	CC(C)=CC1OC2=C(C=CC(O)=C2)C2=C1C(=O)C1=C(O2)C2=C(OC(C)(C)C=C2)C=C1O
Inchi	InChI=1S/C25H22O6/c1-12(2)9-19-21-22(28)20-16(27)11-18-15(7-8-25(3,4)31-18)23(20)30-24(21)14-6-5-13(26)10-17(14)29-19/h5-11,19,26-27H,1-4H3
IUPAC	11,19-dihydroxy-7,7-dimethyl-15-(2-methylprop-1-en-1-yl)-2,8,16-trioxapentacyclo[12.8.0.03,12.0?,?.01?,22]docosa-1(14),3(12),4(9),5,10,17(22),18,20-octaen-13-one
Molecular Weight	418.44
Pubchem Id	5481969
Chembl Id	CHEMBL1770313

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	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	91600	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	-	160800	-	-
reviewed	BXGT004563	Polyphenol oxidase 2	reviewed		PPO2	46.4	-	-	-
reviewed	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	-	101200	-	-

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
P22303	BXGT008751	Acetylcholinesterase	reviewed	Enzyme	ACHE	Ki	'='	3100	nM
P06276	BXGT006430	Cholinesterase	reviewed	-	BCHE	IC50	'='	1700	nM
P56817	BXGT011200	Beta-secretase 1	reviewed	Enzyme	BACE1	IC50	'='	101200	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00285	Breadfruit	Artocarpus altilis	Fruits
BXGF00823	Fruits		Fruits
BXGF01238	Morus australis	Morus australis	Medicinal Plant
BXGF02214	Morus bombycis	Morus bombycis	Medicinal Plant
BXGF04607	Morus alba	Morus alba	Medicinal Plant
BXGF05957	Artocarpus incisa	Artocarpus incisa	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}