acompound

Showing entry for Silvestrol

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0036280
Compound Name	Silvestrol
Structure
Formula	C34H38O13
InchiKey	GVKXFVCXBFGBCD-QKDMMWSPSA-N
SMILES	OC[C@H]([C@H]1CO[C@H]([C@@H](O1)Oc1cc2O[C@@]3([C@@](c2c(c1)OC)(O)[C@@H]([C@@H]([C@H]3c1ccccc1)C(=O)OC)O)c1ccc(cc1)OC)OC)O
Inchi	InChI=1S/C34H38O13/c1-40-20-12-10-19(11-13-20)34-27(18-8-6-5-7-9-18)26(30(38)42-3)29(37)33(34,39)28-23(41-2)14-21(15-24(28)47-34)45-32-31(43-4)44-17-25(46-32)22(36)16-35/h5-15,22,25-27,29,31-32,35-37,39H,16-17H2,1-4H3/t22-,25-,26-,27-,29-,31-,32-,33+,34+/
IUPAC	methyl (1R,2R,3S,3aR,8bS)-6-[[(2S,3R,6R)-6-[(1R)-1,2-dihydroxyethyl]-3-methoxy-1,4-dioxan-2-yl]oxy]-1,8b-dihydroxy-8-methoxy-3a-(4-methoxyphenyl)-3-phenyl-2,3-dihydro-1H-cyclopenta[b][1]benzofuran-2-carboxylate
Molecular Weight	654.23
Pubchem Id	11787114
Chembl Id	CHEMBL555196

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

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
reviewed	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	-	>20000	-	-
reviewed	BXGT011330	Eukaryotic initiation factor 4A-I	reviewed		EIF4A1	-	-	-	0.8
reviewed	BXGT011330	Eukaryotic initiation factor 4A-I	reviewed		EIF4A1	-	-	-	7

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
P60842	BXGT011330	Eukaryotic initiation factor 4A-I	reviewed	-	EIF4A1	Inhibition	-	-	-
P60842	BXGT011330	Eukaryotic initiation factor 4A-I	reviewed	-	EIF4A1	Ratio EC50	'='	9	-
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC50	'>'	20000	nM
P60842	BXGT011330	Eukaryotic initiation factor 4A-I	reviewed	-	EIF4A1	EC50	'='	0	nM
P60842	BXGT011330	Eukaryotic initiation factor 4A-I	reviewed	-	EIF4A1	EC50	'='	7	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05959	Aglaia foveolata	Aglaia foveolata	Others

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}