acompound

Showing entry for 16Alpha-Hydroxycleroda-3,13-Dien-15-16-Olide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0043988
Compound Name	16Alpha-Hydroxycleroda-3,13-Dien-15-16-Olide
Structure
Formula	C20H30O3
InchiKey	LVSCWEDTMWAASP-KXAOQFNBSA-N
SMILES	O=C1O[C@@H](C(=C1)CC[C@@]1(C)[C@H](C)CC[C@@]2([C@@H]1CCC=C2C)C)O
Inchi	InChI=1S/C20H30O3/c1-13-6-5-7-16-19(13,3)10-8-14(2)20(16,4)11-9-15-12-17(21)23-18(15)22/h6,12,14,16,18,22H,5,7-11H2,1-4H3/t14-,16+,18+,19+,20+/m1/s1
IUPAC	(2S)-3-[2-[(1S,2R,4aR,8aR)-1,2,4a,5-tetramethyl-2,3,4,7,8,8a-hexahydronaphthalen-1-yl]ethyl]-2-hydroxy-2H-furan-5-one
Molecular Weight	318.22
Pubchem Id	44224156
Chembl Id	CHEMBL486985

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	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed		HMGCR	-	30200	-	-

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
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	HMGCR	Inhibition	'='	-78	%
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	HMGCR	Inhibition	'='	-62	%
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	HMGCR	Inhibition	'='	-66	%
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	HMGCR	Inhibition	'='	-22	%
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	HMGCR	Inhibition	'='	-41	%
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	HMGCR	IC50	'='	30200	nM
P04035	BXGT006129	3-hydroxy-3-methylglutaryl-coenzyme A reductase	reviewed	-	HMGCR	Inhibition	'='	-28	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04931	Polyalthia longifolia var. pendula	Polyalthia longifolia var. pendula	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}