acompound

Showing entry for 12alpha-Acetoxy-13beta,18beta-cyclobutane-20,24-dimethyl-24-oxoscalar-16-en-25beta-ol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035851
Compound Name	12alpha-Acetoxy-13beta,18beta-cyclobutane-20,24-dimethyl-24-oxoscalar-16-en-25beta-ol
Structure
Formula	C29H44O4
InchiKey	CAMNRSFPFNRTLQ-JYDWNUQHSA-N
SMILES	CC[C@@]1(C)CCC[C@]2([C@H]1CC[C@@]1([C@@H]2C[C@@H]([C@]23[C@H]1CC=C([C@@H]3[C@@H](C2)O)C(=O)C)OC(=O)C)C)C
Inchi	InChI=1S/C29H44O4/c1-7-26(4)12-8-13-27(5)21(26)11-14-28(6)22-10-9-19(17(2)30)25-20(32)16-29(22,25)24(15-23(27)28)33-18(3)31/h9,20-25,32H,7-8,10-16H2,1-6H3/t20-,21+,22+,23-,24+,25-,26+,27+,28+,29-/m1/s1
IUPAC
Molecular Weight	456.32
Pubchem Id	16680049
Chembl Id	CHEMBL228073

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
P35222	BXGT009799	Catenin beta-1	reviewed	-	CTNNB1	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01017	Xanthorrhoea resinosa	Xanthorrhoea resinosa	Medicinal Plant
BXGF01743	Uncaria macrophylla	Uncaria macrophylla	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}