acompound

Showing entry for Ergosterol Peroxide

General Compound Information
BXGC Id	BXGC0044468
Compound Name	Ergosterol Peroxide
Structure
Formula	C28H44O3
InchiKey	VXOZCESVZIRHCJ-KGHQQZOUSA-N
SMILES	O[C@H]1CC[C@]2([C@@]3(C1)OO[C@@]1([C@@H]2CC[C@]2([C@H]1CC[C@@H]2[C@@H](/C=C/[C@@H](C(C)C)C)C)C)C=C3)C
Inchi	InChI=1S/C28H44O3/c1-18(2)19(3)7-8-20(4)22-9-10-23-25(22,5)13-12-24-26(6)14-11-21(29)17-27(26)15-16-28(23,24)31-30-27/h7-8,15-16,18-24,29H,9-14,17H2,1-6H3/b8-7+/t19-,20+,21-,22+,23+,24+,25+,26+,27+,28-/m0/s1
IUPAC
Molecular Weight	428.33
Pubchem Id	5351516
Chembl Id	CHEMBL434750

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

50334064

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	BXGT009355	Nitric oxide synthase, inducible	reviewed		Nos2	-	6300	-	-

CHEMBL

CHEMBL434750

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
P07943	BXGT006700	Aldo-keto reductase family 1 member B1	reviewed	-	Akr1b1	IC50	'='	15	ug.mL-1
Q60641	BXGT015992	Bile acid receptor	reviewed	-	Nr1h4	Activity	-	-	-
P28700	BXGT009286	Retinoic acid receptor RXR-alpha	reviewed	-	Rxra	Activity	-	-	-
P29477	BXGT009355	Nitric oxide synthase, inducible	reviewed	-	Nos2	IC50	'='	6300	nM
Q96RI1	BXGT019727	Bile acid receptor	reviewed	Nuclear receptor	NR1H4	Inhibition	-	-	-
Q60641	BXGT015992	Bile acid receptor	reviewed	-	Nr1h4	EC50	'='	850	nM
P28700	BXGT009286	Retinoic acid receptor RXR-alpha	reviewed	-	Rxra	EC50	'='	850	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00113	Peppermint	Mentha X piperita	Herbs and Spices
BXGF00199	Gram bean	Vigna mungo	Pulses
BXGF00913	Garcinia atroviridis	Garcinia atroviridis	Medicinal Plant
BXGF01335	Acacia saligna	Acacia saligna	Medicinal Plant
BXGF01561	Gentiana purpurea	Gentiana purpurea	Medicinal Plant
BXGF02220	Rhodiola rosea	Rhodiola rosea	Medicinal Plant
BXGF02476	Radermachera boniana	Radermachera boniana	Others
BXGF02691	Trema dielsiana	Trema dielsiana	Others
BXGF03170	Haloxylon salicornicum	Haloxylon salicornicum	Medicinal Plant
BXGF03919	Xanthium strumarium	Xanthium strumarium	Medicinal Plant
BXGF04023	Putterlickia verrucosa	Putterlickia verrucosa	Others
BXGF04133	Pisonia aculeata	Pisonia aculeata	Medicinal Plant
BXGF04134	Commiphora mukul	Commiphora mukul	Medicinal Plant
BXGF04138	Breynia fruticosa	Breynia fruticosa	Human Edible Plant
BXGF04357	Gentiana dahurica	Gentiana dahurica	Medicinal Plant
BXGF04405	Sterculia urens	Sterculia urens	Medicinal Plant
BXGF04484	Cirsium brevistylum	Cirsium brevistylum	Medicinal Plant
BXGF05025	solanum violaceum	solanum violaceum	Medicinal Plant
BXGF05102	Macaranga conifera	Macaranga conifera	Others
BXGF05115	Andrographis paniculata	Andrographis paniculata	Medicinal Plant
BXGF05309	Calypogeia integristipula	Calypogeia integristipula	Others
BXGF05377	Pachysandra procumbens	Pachysandra procumbens	Human Edible Plant
BXGF05535	Desmodium oxyphyllum	Desmodium oxyphyllum	Others
BXGF05662	Vernonia condensata	Vernonia condensata	Others
BXGF05998	Vaccaria hispanica	Vaccaria hispanica	Medicinal Plant
BXGF06127	Juniperus occidentalis	Juniperus occidentalis	Medicinal Plant
BXGF06140	Tanacetum parthenium	Tanacetum parthenium	Medicinal Plant
BXGF06296	Eucalyptus maideni	Eucalyptus maideni	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}