acompound

Showing entry for 3,23-Dioxocycloarta-24-ene-26-oic acid

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0048222
Compound Name	3,23-Dioxocycloarta-24-ene-26-oic acid
Structure
Formula	C30H44O4
InchiKey	PJYWFBGSJPGTAM-ACKRQZOBSA-N
SMILES	O=C(/C=C(/C(=O)O)\C)C[C@H]([C@H]1CC[C@@]2([C@]1(C)CC[C@@]13[C@H]2CC[C@@H]2[C@]3(C1)CCC(=O)C2(C)C)C)C
Inchi	InChI=1S/C30H44O4/c1-18(15-20(31)16-19(2)25(33)34)21-9-11-28(6)23-8-7-22-26(3,4)24(32)10-12-29(22)17-30(23,29)14-13-27(21,28)5/h16,18,21-23H,7-15,17H2,1-6H3,(H,33,34)/b19-16+/t18-,21-,22+,23+,27-,28+,29-,30+/m1/s1
IUPAC
Molecular Weight	468.32
Pubchem Id	21593999
Chembl Id	CHEMBL519222

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
P55055	BXGT011101	Oxysterols receptor LXR-beta	reviewed	Nuclear receptor	NR1H2	LC50	-	-	-
P55055	BXGT011101	Oxysterols receptor LXR-beta	reviewed	Nuclear receptor	NR1H2	EC50	-	-	-
Q13133	BXGT013315	Oxysterols receptor LXR-alpha	reviewed	Nuclear receptor	NR1H3	FC	-	-	-
P55055	BXGT011101	Oxysterols receptor LXR-beta	reviewed	Nuclear receptor	NR1H2	FC	-	-	-
Q13133	BXGT013315	Oxysterols receptor LXR-alpha	reviewed	Nuclear receptor	NR1H3	LC50	'='	1700	nM
Q13133	BXGT013315	Oxysterols receptor LXR-alpha	reviewed	Nuclear receptor	NR1H3	EC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF03444	Gastrodia elata	Gastrodia elata	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}