acompound

Showing entry for Ceplignan

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0045737
Compound Name	Ceplignan
Structure
Formula	C18H18O7
InchiKey	MRHRLMTUTXWEQP-BLLLJJGKSA-N
SMILES	OC[C@@H]1[C@H](Oc2c1cc(cc2OC)C(=O)O)c1ccc(c(c1)OC)O
Inchi	InChI=1S/C18H18O7/c1-23-14-6-9(3-4-13(14)20)16-12(8-19)11-5-10(18(21)22)7-15(24-2)17(11)25-16/h3-7,12,16,19-20H,8H2,1-2H3,(H,21,22)/t12-,16+/m0/s1
IUPAC	(2S,3R)-2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-carboxylic acid
Molecular Weight	346.11
Pubchem Id	102004693
Chembl Id	CHEMBL3618116

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
P31645	BXGT009558	Sodium-dependent serotonin transporter	reviewed	Transporter	SLC6A4	RFU	'='	1	-
P31645	BXGT009558	Sodium-dependent serotonin transporter	reviewed	Transporter	SLC6A4	RFU	'='	1	-
P31645	BXGT009558	Sodium-dependent serotonin transporter	reviewed	Transporter	SLC6A4	RFU	'='	1	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF06071	Acorus tatarinowii	Acorus tatarinowii	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}