acompound

Showing entry for Helenalinisobutyrate

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0050219
Compound Name	Helenalinisobutyrate
Structure
Formula	C19H24O5
InchiKey	SKAOENNHESXSCC-SVAVSBTGSA-N
SMILES	O=C(C(C)C)O[C@H]1[C@H]2[C@@H](C[C@H]([C@H]3[C@@]1(C)C(=O)C=C3)C)OC(=O)C2=C
Inchi	InChI=1S/C19H24O5/c1-9(2)17(21)24-16-15-11(4)18(22)23-13(15)8-10(3)12-6-7-14(20)19(12,16)5/h6-7,9-10,12-13,15-16H,4,8H2,1-3,5H3/t10-,12+,13-,15-,16+,19+/m1/s1
IUPAC	[(3aR,5R,5aR,8aR,9S,9aR)-5,8a-dimethyl-1-methylidene-2,8-dioxo-3a,4,5,5a,9,9a-hexahydroazuleno[6,5-b]furan-9-yl] 2-methylpropanoate
Molecular Weight	332.16
Pubchem Id	9996862
Chembl Id	CHEMBL364038

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	-	2541	-	-
reviewed	BXGT005729	Transcriptional activator Myb	reviewed		MYB	-	2540	-	-

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
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC100	'='	20	uM
P19838	BXGT008526	Nuclear factor NF-kappa-B p105 subunit	reviewed	Transcription factor	NFKB1	IC100	'='	20	uM
Q00653	BXGT012541	Nuclear factor NF-kappa-B p100 subunit	reviewed	Transcription factor	NFKB2	IC100	'='	20	uM
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC100	'='	20	uM
P01103	BXGT005729	Transcriptional activator Myb	reviewed	-	MYB	IC50	'='	2540	nM
P01103	BXGT005729	Transcriptional activator Myb	reviewed	-	MYB	IC50	'='	2540	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01310	Arnica montana	Arnica montana	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}