acompound

Showing entry for Medicarpin

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0000365
Compound Name	Medicarpin
Structure
Formula	C16H14O4
InchiKey	NSRJSISNDPOJOP-UHFFFAOYSA-N
SMILES	COC1=CC2=C(C=C1)C1COC3=C(C=CC(O)=C3)C1O2
Inchi	InChI=1S/C16H14O4/c1-18-10-3-5-11-13-8-19-14-6-9(17)2-4-12(14)16(13)20-15(11)7-10/h2-7,13,16-17H,8H2,1H3
IUPAC	14-methoxy-8,17-dioxatetracyclo[8.7.0.0^{2,7}.0^{11,16}]heptadeca-2,4,6,11(16),12,14-hexaen-5-ol
Molecular Weight	270.28
Pubchem Id	623060
Chembl Id	CHEMBL4218497

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
P04798	BXGT006265	Cytochrome P450 1A1	reviewed	Enzyme	CYP1A1	Inhibition	'='	27	%
Q16678	BXGT013656	Cytochrome P450 1B1	reviewed	Enzyme	CYP1B1	Inhibition	'='	31	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00047	Chickpea	Cicer arietinum	Pulses
BXGF00197	Broad bean	Vicia faba	Pulses
BXGF00202	Cowpea	Vigna unguiculata	Pulses
BXGF00264	Alfalfa	Medicago sativa	Herbs and Spices
BXGF00481	Black-eyed pea	Vigna unguiculata ssp. unguiculata	Pulses
BXGF05722	Hedysarum polybotrys	Hedysarum polybotrys	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}