acompound

Showing entry for Hawtriwa lactone

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0021698
Compound Name	Hawtriwa lactone
Structure
Formula	C20H26O3
InchiKey	GYQICJPGOHABHH-SIKIZQCASA-N
SMILES	O=C1OC[C@@]23C1=CCC[C@@H]3[C@@]([C@@H](CC2)C)(C)CCc1ccoc1
Inchi	InChI=1S/C20H26O3/c1-14-6-10-20-13-23-18(21)16(20)4-3-5-17(20)19(14,2)9-7-15-8-11-22-12-15/h4,8,11-12,14,17H,3,5-7,9-10,13H2,1-2H3/t14-,17-,19+,20-/m1/s1
IUPAC	(6aR,7S,8R,10aS)-7-[2-(furan-3-yl)ethyl]-7,8-dimethyl-5,6,6a,8,9,10-hexahydro-1H-benzo[d][2]benzofuran-3-one
Molecular Weight	314.19
Pubchem Id	57400216
Chembl Id	CHEMBL1933860

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
Q965D5	BXGT019600	Enoyl-acyl-carrier protein reductase	unreviewed	-	fabI	IC50	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF02833	Polygonatum zanlanscianense	Polygonatum zanlanscianense	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}