acompound

Showing entry for 7-O-Ethylrosmanol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0025128
Compound Name	7-O-Ethylrosmanol
Structure
Formula	C22H30O5
InchiKey	HEUIVINVBVPWCU-WEMPKCCASA-N
SMILES	CCO[C@@H]1[C@H]2OC(=O)[C@]3([C@@H]2C(C)(C)CCC3)c2c1cc(C(C)C)c(c2O)O
Inchi	InChI=1S/C22H30O5/c1-6-26-17-13-10-12(11(2)3)15(23)16(24)14(13)22-9-7-8-21(4,5)19(22)18(17)27-20(22)25/h10-11,17-19,23-24H,6-9H2,1-5H3/t17-,18+,19-,22-/m0/s1
IUPAC
Molecular Weight	374.21
Pubchem Id	23243693
Chembl Id	CHEMBL464584

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
Q9YQ12	BXGT022394	Protease	unreviewed	-	protease	IC90	'='	1	ug.mL-1
P80209	BXGT011885	Cathepsin D	reviewed	-	CTSD	Activity	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01317	Acer pictum subsp. okamotoanum	Acer pictum subsp. okamotoanum	Medicinal Plant
BXGF01616	Senecio fuertesii	Senecio fuertesii	Others
BXGF01712	Aspilia hispida	Aspilia hispida	Others
BXGF02384	Verbesina virgata	Verbesina virgata	Others
BXGF02398	Dalea versicolor	Dalea versicolor	Others
BXGF02452	Alstonia yunnanensis	Alstonia yunnanensis	Medicinal Plant
BXGF02552	Sideritis cystosiphon	Sideritis cystosiphon	Others
BXGF02614	Isodon adenolomus	Isodon adenolomus	Others
BXGF02668	Stachys tuberifera	Stachys tuberifera	Medicinal Plant
BXGF02683	Tylophora atrofolliculata	Tylophora atrofolliculata	Medicinal Plant
BXGF02719	Achyrocline bogotensis	Achyrocline bogotensis	Others
BXGF02865	Dasymaschalon blumei	Dasymaschalon blumei	Others
BXGF02910	Chamaemelum fuscatum	Chamaemelum fuscatum	Others
BXGF02926	Scutellaria albida	Scutellaria albida	Medicinal Plant
BXGF05039	Cynanchum auriculatum	Cynanchum auriculatum	Human Edible Plant
BXGF05375	Salvia cana	Salvia cana	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}