acompound

Showing entry for Carabrone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028961
Compound Name	Carabrone
Structure
Formula	C16H22O3
InchiKey	UUCCDEBLQHHCHQ-XYTFPVCRSA-N
SMILES	CC(=O)CC[C@@H]1[C@@]2([C@@]1(C)C[C@H]1[C@@H](C2)OC(=O)C1=C)C
Inchi	InChI=1S/C16H22O3/c1-9(17)5-6-13-15(3)7-11-10(2)14(18)19-12(11)8-16(13,15)4/h11-13H,2,5-8H2,1,3-4H3/t11-,12-,13+,15+,16-/m1/s1
IUPAC	(3aR,4aS,5S,5aR,6aR)-4a,5a-dimethyl-3-methylidene-5-(3-oxobutyl)-4,5,6,6a-tetrahydro-3aH-cyclopropa[f][1]benzofuran-2-one
Molecular Weight	262.16
Pubchem Id	53319263
Chembl Id	CHEMBL1644102

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	BXGT005729	Transcriptional activator Myb	reviewed		MYB	-	50003	-	-
reviewed	BXGT005729	Transcriptional activator Myb	reviewed		MYB	-	>30000	-	-

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
P01103	BXGT005729	Transcriptional activator Myb	reviewed	-	MYB	IC50	'>'	30000	nM
P01103	BXGT005729	Transcriptional activator Myb	reviewed	-	MYB	IC50	'='	50003	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00040	Pepper (C. annuum)	Capsicum annuum	Vegetables
BXGF03156	Arnica longifolia	Arnica longifolia	Others
BXGF03659	Carpesium faberi	Carpesium faberi	Others
BXGF04212	Carpesium abrotanoides	Carpesium abrotanoides	Medicinal Plant
BXGF05931	Lilium pumilum	Lilium pumilum	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}