acompound

Showing entry for Costunolide

　　　　　　　　　　　　　　　

General Compound Information
BXGC Id	BXGC0035919
Compound Name	Costunolide
Structure
Formula	C15H20O2
InchiKey	HRYLQFBHBWLLLL-AHNJNIBGSA-N
SMILES	C/C/1=C\[C@H]2OC(=O)C(=C)[C@@H]2CC/C(=C/CC1)/C
Inchi	InChI=1S/C15H20O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,13-14H,3-4,6-8H2,1-2H3/b10-5+,11-9+/t13-,14+/m0/s1
IUPAC	(3aS,6E,10E,11aR)-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Molecular Weight	232.15
Pubchem Id	5281437
Chembl Id	CHEMBL86416

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	BXGT020625	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed		murA	-	>50000	-	-
reviewed	BXGT007092	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed		murA	-	>50000	-	-
reviewed	BXGT005729	Transcriptional activator Myb	reviewed		MYB	-	30690	-	-
reviewed	BXGT005729	Transcriptional activator Myb	reviewed		MYB	-	30660	-	-

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
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	50	%
Q9HVW7	BXGT020625	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed	-	murA	IC50	'>'	50000	nM
P0A749	BXGT007092	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed	-	murA	Activity	-	-	-
P0A749	BXGT007092	UDP-N-acetylglucosamine 1-carboxyvinyltransferase	reviewed	-	murA	IC50	'>'	50000	nM
O14746	BXGT004091	Telomerase reverse transcriptase	reviewed	Enzyme	TERT	IC50	'='	65000	nM
P35354	BXGT009816	Prostaglandin G/H synthase 2	reviewed	Enzyme	PTGS2	IC60	'='	6	uM
P03372	BXGT006059	Estrogen receptor	reviewed	Nuclear receptor	ESR1	Activity	'='	39	%
Q04206	BXGT012754	Transcription factor p65	reviewed	Transcription factor	RELA	IC100	'='	50	uM
P01103	BXGT005729	Transcriptional activator Myb	reviewed	-	MYB	IC50	'='	30660	nM
P01103	BXGT005729	Transcriptional activator Myb	reviewed	-	MYB	IC50	'='	30690	nM

Foods containing the compound

Foods

BXGF Id	Food Name	Scientific Name	Food Group
BXGF Id	Food Name	Scientific Name	Food Group
BXGF00097	Sweet bay	Laurus nobilis	Herbs and Spices
BXGF00205	Corn	Zea mays	Cereals and cereal products
BXGF00927	Dolomiaea souliei	Dolomiaea souliei	Others
BXGF02042	Magnolia sieboldii	Magnolia sieboldii	Medicinal Plant
BXGF02542	Inula helenium	Inula helenium	Medicinal Plant
BXGF03075	Tamarix nilotica	Tamarix nilotica	Others
BXGF04109	Saussurea costus	Saussurea costus	Medicinal Plant
BXGF04299	Cladrastis kentukea	Cladrastis kentukea	Others
BXGF05070	Asteraceae	Asteraceae	Others
BXGF05895	Commiphora myrrha	Commiphora myrrha	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}