acompound

Showing entry for zeylasterone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0026832
Compound Name	zeylasterone
Structure
Formula	C30H38O7
InchiKey	DXDSZUXZQIKMRQ-GMZGOHOASA-N
SMILES	COC(=O)[C@]1(C)CC[C@]2([C@@H](C1)[C@]1(C)CC[C@@]3(C(=CC(=O)c4c3cc(O)c(c4C(=O)O)O)[C@]1(CC2)C)C)C
Inchi	InChI=1S/C30H38O7/c1-26-7-8-27(2,25(36)37-6)15-20(26)30(5)12-10-28(3)16-13-18(32)23(33)22(24(34)35)21(16)17(31)14-19(28)29(30,4)11-9-26/h13-14,20,32-33H,7-12,15H2,1-6H3,(H,34,35)/t20-,26-,27-,28+,29-,30+/m1/s1
IUPAC	(6aS,6bS,8aS,11R,12aR,14aR)-2,3-dihydroxy-11-methoxycarbonyl-6a,6b,8a,11,14a-pentamethyl-5-oxo-7,8,9,10,12,12a,13,14-octahydropicene-4-carboxylic acid
Molecular Weight	510.26
Pubchem Id	13945472
Chembl Id	CHEMBL518411

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
P11388	BXGT007697	DNA topoisomerase 2-alpha	reviewed	-	TOP2A	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00887	Citrus hybr	Citrus hybr	Others
BXGF01648	Iris pallida	Iris pallida	Medicinal Plant
BXGF02079	Pyrus x bretschneideri	Pyrus x bretschneideri	Others
BXGF02117	Solidago chinensis	Solidago chinensis	Others
BXGF03590	Achillea micrantha	Achillea micrantha	Others
BXGF03844	Plazia daphnoides	Plazia daphnoides	Others
BXGF03968	Euphorbia cheiradenia	Euphorbia cheiradenia	Others
BXGF04234	Maytenus apurimacensis	Maytenus apurimacensis	Others
BXGF05117	Crucianella maritima	Crucianella maritima	Others
BXGF05558	Bidens cernua	Bidens cernua	Others
BXGF05585	Pentzia calva	Pentzia calva	Others
BXGF05604	Tetracera asiatica	Tetracera asiatica	Others
BXGF05963	Kadsura heteroclita	Kadsura heteroclita	Medicinal Plant
BXGF06018	Symphonia globulifera	Symphonia globulifera	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}