acompound

Showing entry for Sclareol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0052295
Compound Name	Sclareol
Structure
Formula	C20H36O2
InchiKey	XVULBTBTFGYVRC-HHUCQEJWSA-N
SMILES	C=C[C@@](CC[C@H]1[C@](C)(O)CC[C@@H]2[C@]1(C)CCCC2(C)C)(O)C
Inchi	InChI=1S/C20H36O2/c1-7-18(4,21)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)22/h7,15-16,21-22H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m0/s1
IUPAC	(1R,2R,4aS,8aS)-1-[(3R)-3-hydroxy-3-methylpent-4-enyl]-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
Molecular Weight	308.27
Pubchem Id	163263
Chembl Id	CHEMBL294740

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

n.a

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

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
P81908	BXGT011959	Cholinesterase	reviewed	-	BCHE	Inhibition	'='	-2	%
O42275	BXGT004559	Acetylcholinesterase	reviewed	-	ache	Inhibition	'='	3	%
P48443	BXGT010631	Retinoic acid receptor RXR-gamma	reviewed	Nuclear receptor	RXRG	EC50	-	-	-
P28702	BXGT009287	Retinoic acid receptor RXR-beta	reviewed	Nuclear receptor	RXRB	EC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02527	Nicotiana tabacum	Nicotiana tabacum	Medicinal Plant
BXGF02616	Curcuma phaeocaulis	Curcuma phaeocaulis	Others
BXGF03536	Curcuma kwangsiensis	Curcuma kwangsiensis	Medicinal Plant
BXGF04173	Curcuma wenyujin	Curcuma wenyujin	Others
BXGF04348	Sagittaria sagittifolia	Sagittaria sagittifolia	Medicinal Plant
BXGF05613	Chamaecyparis pisifera	Chamaecyparis pisifera	Medicinal Plant
BXGF05934	Curcuma zedoaria	Curcuma zedoaria	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}