acompound

Showing entry for Daniellic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0038575
Compound Name	Daniellic acid
Structure
Formula	C20H28O3
InchiKey	ZQHJXKYYELWEOK-LCLWPZTBSA-N
SMILES	C=C1CC[C@H]2[C@@]([C@@H]1CCc1cocc1)(C)CCC[C@@]2(C)C(=O)O
Inchi	InChI=1S/C20H28O3/c1-14-5-8-17-19(2,10-4-11-20(17,3)18(21)22)16(14)7-6-15-9-12-23-13-15/h9,12-13,16-17H,1,4-8,10-11H2,2-3H3,(H,21,22)/t16-,17+,19+,20-/m1/s1
IUPAC	(1R,4aS,5R,8aS)-5-[2-(furan-3-yl)ethyl]-1,4a-dimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalene-1-carboxylic acid
Molecular Weight	316.2
Pubchem Id	6955052
Chembl Id	CHEMBL4281938

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
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	IC50	'='	2511886	nM
Q4QEW7	BXGT014876	Dihydroorotate dehydrogenase (fumarate)	unreviewed	-	DHODH	IC50	'='	2624000	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04677	Cirsium canum	Cirsium canum	Others
BXGF05672	Podocarpus henckelii	Podocarpus henckelii	Others
BXGF05987	Opuntia vulgaris	Opuntia vulgaris	Medicinal Plant
BXGF06144	Piper hancei	Piper hancei	Medicinal Plant
BXGF06325	Salvia lasiantha	Salvia lasiantha	Others

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}