acompound

Showing entry for Americanin A

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0028342
Compound Name	Americanin A
Structure
Formula	C18H16O6
InchiKey	NTXXGPYGMQQSML-QLJMBOKNSA-N
SMILES	O=C/C=C/c1ccc2c(c1)O[C@H]([C@@H](O2)c1ccc(c(c1)O)O)CO
Inchi	InChI=1S/C18H16O6/c19-7-1-2-11-3-6-15-16(8-11)23-17(10-20)18(24-15)12-4-5-13(21)14(22)9-12/h1-9,17-18,20-22H,10H2/b2-1+/t17-,18-/m0/s1
IUPAC	(E)-3-[(2S,3S)-2-(3,4-dihydroxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
Molecular Weight	328.09
Pubchem Id	44575382
Chembl Id	CHEMBL482240

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
Q13535	BXGT013370	Serine/threonine-protein kinase ATR	reviewed	Kinase	ATR	Activity	-	-	-
Q13315	BXGT013339	Serine-protein kinase ATM	reviewed	Kinase	ATM	Activity	-	-	-
P63208	BXGT011507	S-phase kinase-associated protein 1	reviewed	Enzyme	SKP1	Inhibition	-	-	-
Q13309	BXGT013338	S-phase kinase-associated protein 2	reviewed	-	SKP2	Inhibition	-	-	-
P46527	BXGT010525	Cyclin-dependent kinase inhibitor 1B	reviewed	-	CDKN1B	Inhibition	-	-	-
Q00987	BXGT012559	E3 ubiquitin-protein ligase Mdm2	reviewed	Nucleic acid binding	MDM2	Inhibition	-	-	-
P04637	BXGT006243	Cellular tumor antigen p53	reviewed	Transcription factor	TP53	Inhibition	-	-	-
P18031	BXGT008369	Tyrosine-protein phosphatase non-receptor type 1	reviewed	-	PTPN1	IC50	-	-	-
Q13616	BXGT013381	Cullin-1	reviewed	Enzyme	CUL1	Inhibition	-	-	-

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00401	American pokeweed	Phytolacca americana	Vegetables
BXGF02138	Stachys mucronata	Stachys mucronata	Others
BXGF02599	Solanum sodomeum	Solanum sodomeum	Others
BXGF02818	Allium nutans	Allium nutans	Medicinal Plant
BXGF03528	Petalostemon gattingeri	Petalostemon gattingeri	Others
BXGF05257	Morinda citrifolia	Morinda citrifolia	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}