acompound

Showing entry for [R,(+)]-3,7-Dimethyl-7-octen-1-ol acetate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0018116
Compound Name	[R,(+)]-3,7-Dimethyl-7-octen-1-ol acetate
Structure
Formula	C12H22O2
InchiKey	WNXJCQNXNOOMDJ-LLVKDONJSA-N
SMILES	C[C@@H](CCOC(=O)C)CCCC(=C)C
Inchi	InChI=1S/C12H22O2/c1-10(2)6-5-7-11(3)8-9-14-12(4)13/h11H,1,5-9H2,2-4H3/t11-/m1/s1
IUPAC	[(3R)-3,7-dimethyloct-7-enyl] acetate
Molecular Weight	198.16
Pubchem Id	36690979
Chembl Id	CHEMBL3138716

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
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	112	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	104	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00155	Blackcurrant	Ribes nigrum	Fruits
BXGF01069	Ratibida mexicana	Ratibida mexicana	Medicinal Plant
BXGF01270	Peltogyne porphyrocardia	Peltogyne porphyrocardia	Others
BXGF01552	Garcinia xipshuanbannaensis	Garcinia xipshuanbannaensis	Human Edible Plant
BXGF01751	Caulerpa serrulata	Caulerpa serrulata	Human Edible Plant
BXGF01784	Leonurus persicus	Leonurus persicus	Medicinal Plant
BXGF01810	Delphinium shawurense	Delphinium shawurense	Others
BXGF01882	Lathyrus nissolia	Lathyrus nissolia	Medicinal Plant
BXGF01977	Gutierrezia lucida	Gutierrezia lucida	Others
BXGF01994	Helichrysum graveolens	Helichrysum graveolens	Others
BXGF02042	Magnolia sieboldii	Magnolia sieboldii	Medicinal Plant
BXGF02330	Codonopsis pilosula	Codonopsis pilosula	Medicinal Plant
BXGF03853	Aconitum violaceum	Aconitum violaceum	Medicinal Plant
BXGF05288	Fagraea gracilipes	Fagraea gracilipes	Human Edible Plant
BXGF05629	Iryanthera paraensis	Iryanthera paraensis	Human Edible Plant
BXGF06302	Pinus brutia var. eldarica	Pinus brutia var. eldarica	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}