acompound

Showing entry for Bruceantin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035410
Compound Name	Bruceantin
Structure
Formula	C28H36O11
InchiKey	IRQXZTBHNKVIRL-GOTQHHPNSA-N
SMILES	COC(=O)[C@@]12OC[C@]34[C@H]2[C@@H](OC(=O)/C=C(/C(C)C)\C)C(=O)O[C@@H]4C[C@@H]2[C@]([C@H]3[C@H]([C@@H]1O)O)(C)CC(=O)C(=C2C)O
Inchi	InChI=1S/C28H36O11/c1-11(2)12(3)7-17(30)39-20-22-27-10-37-28(22,25(35)36-6)23(33)19(32)21(27)26(5)9-15(29)18(31)13(4)14(26)8-16(27)38-24(20)34/h7,11,14,16,19-23,31-33H,8-10H2,1-6H3/b12-7+/t14-,16+,19+,20+,21+,22+,23-,26-,27+,28-/m0/s1
IUPAC
Molecular Weight	548.23
Pubchem Id	5281304
Chembl Id	CHEMBL509895

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
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'>'	200	ug.mL-1
P10635	BXGT007595	Cytochrome P450 2D6	reviewed	-	CYP2D6	IC50	'='	514000	nM
P05412	BXGT006354	Transcription factor AP-1	reviewed	Transcription factor	JUN	IC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00352	Japanese chestnut	Castanea crenata	Nuts
BXGF01003	Carpobrotus edulis	Carpobrotus edulis	Medicinal Plant
BXGF01062	Asplenium normale	Asplenium normale	Others
BXGF01137	Centrolobium tomentosum	Centrolobium tomentosum	Others
BXGF01201	Psilostrophe cooperi	Psilostrophe cooperi	Others
BXGF01305	Trifolium alexandrinum	Trifolium alexandrinum	Medicinal Plant
BXGF01507	Sideritis tragoriganum	Sideritis tragoriganum	Others
BXGF01778	Solanum jamaicense	Solanum jamaicense	Others
BXGF01895	Lippia carviodora	Lippia carviodora	Medicinal Plant
BXGF01912	Ceratophyllum submersum	Ceratophyllum submersum	Others
BXGF01936	Brucea javanica	Brucea javanica	Medicinal Plant
BXGF01971	Myrica nana	Myrica nana	Others
BXGF02061	Dracocephalum kotschyi	Dracocephalum kotschyi	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}