acompound

Showing entry for incensole acetate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0020271
Compound Name	incensole acetate
Structure
Formula	C20H34O2
InchiKey	SSBZLMMXFQMHDP-REDNKFHQSA-N
SMILES	C/C/1=C\C[C@@]2(CC[C@](O2)(C)[C@H](CC/C(=C/CC1)/C)O)C(C)C
Inchi	InChI=1S/C20H34O2/c1-15(2)20-12-11-17(4)8-6-7-16(3)9-10-18(21)19(5,22-20)13-14-20/h7,11,15,18,21H,6,8-10,12-14H2,1-5H3/b16-7+,17-11+/t18-,19+,20+/m0/s1
IUPAC	(1R,2S,5E,9E,12S)-1,5,9-trimethyl-12-propan-2-yl-15-oxabicyclo[10.2.1]pentadeca-5,9-dien-2-ol
Molecular Weight	306.26
Pubchem Id	44583885
Chembl Id	CHEMBL497044

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	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	-	15840	-	-

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
Q4QYD9	BXGT014884	Heat sensitive channel TRPV3	unreviewed	-		Emax	'='	65	%
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	IC50	'='	15840	nM
Q4QYD9	BXGT014884	Heat sensitive channel TRPV3	unreviewed	-		IC50	'='	2100	nM
Q4QYD9	BXGT014884	Heat sensitive channel TRPV3	unreviewed	-		EC50	'='	2100	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02011	Boswellia carterii	Boswellia carterii	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}