acompound

Showing entry for pterosin S

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0016915
Compound Name	pterosin S
Structure
Formula	C14H18O4
InchiKey	VUTYSCZGARSHDC-SDBXPKJASA-N
SMILES	OCCc1c(C)cc2c(c1CO)C(=O)[C@H]([C@@H]2O)C
Inchi	InChI=1S/C14H18O4/c1-7-5-10-12(14(18)8(2)13(10)17)11(6-16)9(7)3-4-15/h5,8,13,15-17H,3-4,6H2,1-2H3/t8-,13-/m0/s1
IUPAC	(2S,3S)-3-hydroxy-6-(2-hydroxyethyl)-7-(hydroxymethyl)-2,5-dimethyl-2,3-dihydroinden-1-one
Molecular Weight	250.12
Pubchem Id	44201981
Chembl Id	CHEMBL1864404

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
P37840	BXGT010015	Alpha-synuclein	reviewed	Transporter	SNCA	Potency	-	31622	nM
Q9UNA4	BXGT021785	DNA polymerase iota	reviewed	-	POLI	Potency	-	25118	nM
O75496	BXGT005132	Geminin	reviewed	-	GMNN	Potency	-	259	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF04309	Pteris multifida	Pteris multifida	Medicinal Plant
BXGF04451	Pteris cretica var. nervosa	Pteris cretica var. nervosa	Garden Plant
BXGF05101	Swietenia mahagoni	Swietenia mahagoni	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}