acompound

Showing entry for ansaspirolide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0047035
Compound Name	ansaspirolide
Structure
Formula	C24H26O4
InchiKey	KKXDPTDDMLHVAK-POLTTXONSA-N
SMILES	CCC/C=C/1\OC(=O)C2=CC3CCC12[C@]1(OC(=O)c2c1cccc2)[C@@H]3CCC
Inchi	InChI=1S/C24H26O4/c1-3-5-11-20-23-13-12-15(14-19(23)22(26)27-20)17(8-4-2)24(23)18-10-7-6-9-16(18)21(25)28-24/h6-7,9-11,14-15,17H,3-5,8,12-13H2,1-2H3/b20-11-/t15?,17-,23?,24+/m1/s1
IUPAC
Molecular Weight	378.18
Pubchem Id	44575265
Chembl Id	CHEMBL482223

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
P34969	BXGT009777	5-hydroxytryptamine receptor 7	reviewed	G-protein coupled receptor	HTR7	Inhibition	'='	19	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF01140	Angelica gigas	Angelica gigas	Medicinal Plant
BXGF02049	Angelica sinensis	Angelica sinensis	Medicinal Plant
BXGF04842	Angelica acutiloba	Angelica acutiloba	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}