acompound

Showing entry for Nigranoic Acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0024405
Compound Name	Nigranoic Acid
Structure
Formula	C30H46O4
InchiKey	NJFOSFIPGRXARF-BRTULJEKSA-N
SMILES	OC(=O)CC[C@@]12C[C@@]32CC[C@]2([C@@]([C@@H]3CC[C@H]1C(=C)C)(C)CC[C@@H]2[C@@H](CC/C=C(\C(=O)O)/C)C)C
Inchi	InChI=1S/C30H46O4/c1-19(2)22-10-11-24-28(6)14-12-23(20(3)8-7-9-21(4)26(33)34)27(28,5)16-17-30(24)18-29(22,30)15-13-25(31)32/h9,20,22-24H,1,7-8,10-18H2,2-6H3,(H,31,32)(H,33,34)/b21-9-/t20-,22+,23-,24+,27-,28+,29-,30+/m1/s1
IUPAC
Molecular Weight	470.34
Pubchem Id	10814237
Chembl Id	CHEMBL480082

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	Inhibition	'='	99	%
Q9WKE8	BXGT021921	Reverse transcriptase	unreviewed	-	reverse	IC50	'='	159400	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03648	Schisandra sphaerandra	Schisandra sphaerandra	Medicinal Plant
BXGF05834	Schisandra sphenanthera	Schisandra sphenanthera	Medicinal Plant
BXGF05963	Kadsura heteroclita	Kadsura heteroclita	Medicinal Plant
BXGF05977	Schisandra chinensis	Schisandra chinensis	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}