acompound

Showing entry for Vernolide-B

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0032279
Compound Name	Vernolide-B
Structure
Formula	C23H30O8
InchiKey	CIBBPLMBWXKCDP-RRPNGBMBSA-N
SMILES	C/C=C(/C(=O)O[C@H]1C[C@@H](C)[C@]2(OC)CC[C@](/C=C/3\C1=C(COC(=O)C)C(=O)O3)(O2)C)\C
Inchi	InChI=1S/C23H30O8/c1-7-13(2)20(25)29-17-10-14(3)23(27-6)9-8-22(5,31-23)11-18-19(17)16(21(26)30-18)12-28-15(4)24/h7,11,14,17H,8-10,12H2,1-6H3/b13-7+,18-11+/t14-,17+,22-,23+/m1/s1
IUPAC
Molecular Weight	434.19
Pubchem Id	70692803
Chembl Id	CHEMBL2062868

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	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	-	3200	-	-
reviewed	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	-	4100	-	-

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
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	Inhibition	-	-	-
P42227	BXGT010289	Signal transducer and activator of transcription 3	reviewed	-	Stat3	Inhibition	-	-	-
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	Activity	-	-	-
P28482	BXGT009263	Mitogen-activated protein kinase 1	reviewed	Kinase	MAPK1	Activity	-	-	-
P27361	BXGT009176	Mitogen-activated protein kinase 3	reviewed	Kinase	MAPK3	Activity	-	-	-
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	IC50	'='	4100	nM
P40763	BXGT010202	Signal transducer and activator of transcription 3	reviewed	Nucleic acid binding	STAT3	IC50	'='	3200	nM
P42227	BXGT010289	Signal transducer and activator of transcription 3	reviewed	-	Stat3	Activity	'='	31	%
P31749	BXGT009574	RAC-alpha serine/threonine-protein kinase	reviewed	Kinase	AKT1	Activity	-	-	-
P42225	BXGT010287	Signal transducer and activator of transcription 1	reviewed	-	Stat1	Inhibition	-	-	-
Q63844	BXGT016080	Mitogen-activated protein kinase 3	reviewed	-	Mapk3	Inhibition	-	-	-
P63085	BXGT011493	Mitogen-activated protein kinase 1	reviewed	-	Mapk1	Inhibition	-	-	-
P42225	BXGT010287	Signal transducer and activator of transcription 1	reviewed	-	Stat1	Activity	'='	42	%
P42227	BXGT010289	Signal transducer and activator of transcription 3	reviewed	-	Stat3	Activity	'='	42	%
P42225	BXGT010287	Signal transducer and activator of transcription 1	reviewed	-	Stat1	Activity	'='	49	%

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF05059	vernonia cinerea	vernonia cinerea	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}