acompound

Showing entry for Alpha-Bisabolol

General Compound Information
BXGC Id	BXGC0020278
Compound Name	Alpha-Bisabolol
Structure
Formula	C15H26O
InchiKey	RGZSQWQPBWRIAQ-CABCVRRESA-N
SMILES	CC(=CCC[C@@]([C@H]1CCC(=CC1)C)(O)C)C
Inchi	InChI=1S/C15H26O/c1-12(2)6-5-11-15(4,16)14-9-7-13(3)8-10-14/h6-7,14,16H,5,8-11H2,1-4H3/t14-,15+/m1/s1
IUPAC	(2S)-6-methyl-2-[(1S)-4-methylcyclohex-3-en-1-yl]hept-5-en-2-ol
Molecular Weight	222.2
Pubchem Id	442343
Chembl Id	CHEMBL1096927

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

50382730

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	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	-	73000	-	-

CHEMBL

CHEMBL1096927

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
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	IC50	'='	73000	nM
Q9NPD5	BXGT021151	Solute carrier organic anion transporter family member 1B3	reviewed	Transporter	SLCO1B3	Inhibition	'='	97	%
Q9Y6L6	BXGT022334	Solute carrier organic anion transporter family member 1B1	reviewed	Transporter	SLCO1B1	Inhibition	'='	83	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00050	Chinese cinnamon	Cinnamomum aromaticum	Herbs and Spices
BXGF00068	Turmeric	Curcuma longa	Herbs and Spices
BXGF00072	Wild carrot	Daucus carota	Vegetables
BXGF00139	Pepper (Spice)	Piper nigrum	Herbs and Spices
BXGF00206	Ginger	Zingiber officinale	Herbs and Spices
BXGF00946	Artemisia montana	Artemisia montana	Medicinal Plant
BXGF00948	Artemisia apiacea	Artemisia apiacea	Medicinal Plant
BXGF01226	Agrimonia eupatoria	Agrimonia eupatoria	Medicinal Plant
BXGF01260	Eleutherococcus senticosus	Eleutherococcus senticosus	Medicinal Plant
BXGF01325	Murraya exotica	Murraya exotica	Medicinal Plant
BXGF01424	Atractylodes chinensis	Atractylodes chinensis	Medicinal Plant
BXGF01911	Bupleurum scorzonerifolium	Bupleurum scorzonerifolium	Medicinal Plant
BXGF01973	Lonicera japonica	Lonicera japonica	Medicinal Plant
BXGF02106	Citrus medica	Citrus medica	Medicinal Plant
BXGF02182	Atractylodes lancea	Atractylodes lancea	Medicinal Plant
BXGF02604	Agrimonia pilosa	Agrimonia pilosa	Medicinal Plant
BXGF02612	Mosla chinensis	Mosla chinensis	Medicinal Plant
BXGF02616	Curcuma phaeocaulis	Curcuma phaeocaulis	Others
BXGF03078	Chrysanthemum x morifolium	Chrysanthemum x morifolium	Medicinal Plant
BXGF03189	Rhododendron dauricum	Rhododendron dauricum	Medicinal Plant
BXGF03243	Elsholtzia ciliata	Elsholtzia ciliata	Medicinal Plant
BXGF03432	Chrysanthemum indicum	Chrysanthemum indicum	Medicinal Plant
BXGF03435	Angelica pubescens	Angelica pubescens	Medicinal Plant
BXGF03536	Curcuma kwangsiensis	Curcuma kwangsiensis	Medicinal Plant
BXGF03953	Artemisia princeps	Artemisia princeps	Medicinal Plant
BXGF04070	Acorus calamus	Acorus calamus	Medicinal Plant
BXGF04173	Curcuma wenyujin	Curcuma wenyujin	Others
BXGF04271	Artemisia annua	Artemisia annua	Medicinal Plant
BXGF04382	Murraya paniculata	Murraya paniculata	Medicinal Plant
BXGF04611	Artemisia argyi	Artemisia argyi	Medicinal Plant
BXGF04820	Panax ginseng	Panax ginseng	0
BXGF04875	Bupleurum chinense	Bupleurum chinense	Medicinal Plant
BXGF04981	Bupleurum falcatum	Bupleurum falcatum	Medicinal Plant
BXGF04995	Aralia continentalis	Aralia continentalis	Medicinal Plant
BXGF05269	Hypericum perforatum	Hypericum perforatum	Medicinal Plant
BXGF05641	Ligularia stenocephala	Ligularia stenocephala	Others
BXGF05689	Artemisia klotzchiana	Artemisia klotzchiana	Others
BXGF05819	Citrus aurantium	Citrus aurantium	Medicinal Plant
BXGF05977	Schisandra chinensis	Schisandra chinensis	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}